3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one

C256H319N13O40 — CID 160941852

IUPAC3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
SMILESCC(C)C(=O)CN1C[C@@H]2C[C@H]1CN2CCCc1cccc(C(=O)C(C)C)c1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccncc2)cc1.CC(C)C(=O)COCc1ccc(Oc2ccccc2)cc1.CC(C)OC1CC2(CC(OCC(=O)C(C)C)C2)C1.CC(C)OCCn1cc(C2=CC(CC(=O)C(C)C)CC=C2)cn1
InChIInChI=1S/C23H34N2O2.C19H28N2O2.C19H22O3.9C18H21NO3.C18H20O3.C15H26O3/c1-16(2)22(26)15-25-14-20-12-21(25)13-24(20)10-6-8-18-7-5-9-19(11-18)23(27)17(3)4;1-14(2)19(22)11-16-6-5-7-17(10-16)18-12-20-21(13-18)8-9-23-15(3)4;1-15(2)19(20)14-21-12-13-22-18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-14(2)18(20)13-21-11-12-22-17-5-3-15(4-6-17)16-7-9-19-10-8-16;2*1-14(2)18(20)13-21-10-11-22-17-7-5-15(6-8-17)16-4-3-9-19-12-16;2*1-14(2)18(20)13-21-11-12-22-16-8-6-15(7-9-16)17-5-3-4-10-19-17;2*1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;2*1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15;1-14(2)18(19)13-20-12-15-8-10-17(11-9-15)21-16-6-4-3-5-7-16;1-10(2)14(16)9-17-12-5-15(6-12)7-13(8-15)18-11(3)4/h5,7,9,11,16-17,20-21H,6,8,10,12-15H2,1-4H3;5,7,10,12-16H,6,8-9,11H2,1-4H3;3-11,15H,12-14H2,1-2H3;3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;2*3-10,14H,11-13H2,1-2H3;4*3-9,12,14H,10-11,13H2,1-2H3;3-11,14H,12-13H2,1-2H3;10-13H,5-9H2,1-4H3/t20-,21-;;;;;;;;;;;;;/m0............./s1
InChIKeySUPNBSMJGHQUMJ-VVVOFFIZSA-N
MW4218.42 g/mol
LogP48.81
Rot. Bonds110

About 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one

3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one (PubChem CID 160941852) has the molecular formula C256H319N13O40 and a molecular weight of 4218.42 g/mol. Its IUPAC name is 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
PubChem CID160941852
Molecular FormulaC256H319N13O40
Molecular Weight4218.42 g/mol
Exact Mass4215.33
IUPAC Name3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one
SMILESCC(C)C(=O)CN1C[C@@H]2C[C@H]1CN2CCCc1cccc(C(=O)C(C)C)c1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccncc2)cc1.CC(C)C(=O)COCc1ccc(Oc2ccccc2)cc1.CC(C)OC1CC2(CC(OCC(=O)C(C)C)C2)C1.CC(C)OCCn1cc(C2=CC(CC(=O)C(C)C)CC=C2)cn1
InChIInChI=1S/C23H34N2O2.C19H28N2O2.C19H22O3.9C18H21NO3.C18H20O3.C15H26O3/c1-16(2)22(26)15-25-14-20-12-21(25)13-24(20)10-6-8-18-7-5-9-19(11-18)23(27)17(3)4;1-14(2)19(22)11-16-6-5-7-17(10-16)18-12-20-21(13-18)8-9-23-15(3)4;1-15(2)19(20)14-21-12-13-22-18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-14(2)18(20)13-21-11-12-22-17-5-3-15(4-6-17)16-7-9-19-10-8-16;2*1-14(2)18(20)13-21-10-11-22-17-7-5-15(6-8-17)16-4-3-9-19-12-16;2*1-14(2)18(20)13-21-11-12-22-16-8-6-15(7-9-16)17-5-3-4-10-19-17;2*1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;2*1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15;1-14(2)18(19)13-20-12-15-8-10-17(11-9-15)21-16-6-4-3-5-7-16;1-10(2)14(16)9-17-12-5-15(6-12)7-13(8-15)18-11(3)4/h5,7,9,11,16-17,20-21H,6,8,10,12-15H2,1-4H3;5,7,10,12-16H,6,8-9,11H2,1-4H3;3-11,15H,12-14H2,1-2H3;3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;2*3-10,14H,11-13H2,1-2H3;4*3-9,12,14H,10-11,13H2,1-2H3;3-11,14H,12-13H2,1-2H3;10-13H,5-9H2,1-4H3/t20-,21-;;;;;;;;;;;;;/m0............./s1
InChIKeySUPNBSMJGHQUMJ-VVVOFFIZSA-N
XLogP48.81
TPSA627.11 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds110
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004218.42
LogP ≤ 548.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
The IUPAC name of 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one (CID 160941852) is 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one.
What is the SMILES notation for 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
The canonical SMILES for 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one is CC(C)C(=O)CN1C[C@@H]2C[C@H]1CN2CCCc1cccc(C(=O)C(C)C)c1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)cn1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccc2)nc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccccn2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2cccnc2)cc1.CC(C)C(=O)COCCOc1ccc(-c2ccncc2)cc1.CC(C)C(=O)COCc1ccc(Oc2ccccc2)cc1.CC(C)OC1CC2(CC(OCC(=O)C(C)C)C2)C1.CC(C)OCCn1cc(C2=CC(CC(=O)C(C)C)CC=C2)cn1.
What is the InChIKey of 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
The InChIKey is SUPNBSMJGHQUMJ-VVVOFFIZSA-N. The full InChI is InChI=1S/C23H34N2O2.C19H28N2O2.C19H22O3.9C18H21NO3.C18H20O3.C15H26O3/c1-16(2)22(26)15-25-14-20-12-21(25)13-24(20)10-6-8-18-7-5-9-19(11-18)23(27)17(3)4;1-14(2)19(22)11-16-6-5-7-17(10-16)18-12-20-21(13-18)8-9-23-15(3)4;1-15(2)19(20)14-21-12-13-22-18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-14(2)18(20)13-21-11-12-22-17-5-3-15(4-6-17)16-7-9-19-10-8-16;2*1-14(2)18(20)13-21-10-11-22-17-7-5-15(6-8-17)16-4-3-9-19-12-16;2*1-14(2)18(20)13-21-11-12-22-16-8-6-15(7-9-16)17-5-3-4-10-19-17;2*1-14(2)18(20)13-21-10-11-22-16-8-9-17(19-12-16)15-6-4-3-5-7-15;2*1-14(2)17(20)13-21-10-11-22-18-9-8-16(12-19-18)15-6-4-3-5-7-15;1-14(2)18(19)13-20-12-15-8-10-17(11-9-15)21-16-6-4-3-5-7-16;1-10(2)14(16)9-17-12-5-15(6-12)7-13(8-15)18-11(3)4/h5,7,9,11,16-17,20-21H,6,8,10,12-15H2,1-4H3;5,7,10,12-16H,6,8-9,11H2,1-4H3;3-11,15H,12-14H2,1-2H3;3-10,14H,11-13H2,1-2H3;2*3-9,12,14H,10-11,13H2,1-2H3;2*3-10,14H,11-13H2,1-2H3;4*3-9,12,14H,10-11,13H2,1-2H3;3-11,14H,12-13H2,1-2H3;10-13H,5-9H2,1-4H3/t20-,21-;;;;;;;;;;;;;/m0............./s1.
What are the key properties of 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one?
3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one has a molecular weight of 4218.42 g/mol, XLogP of 48.81, 110 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1S,4S)-5-[3-[3-(2-methylpropanoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-one;3-methyl-1-[(4-phenoxyphenyl)methoxy]butan-2-one;3-methyl-1-[2-(4-phenylphenoxy)ethoxy]butan-2-one;bis(3-methyl-1-[2-[(5-phenyl-2-pyridinyl)oxy]ethoxy]butan-2-one);bis(3-methyl-1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one);3-methyl-1-[3-[1-(2-propan-2-yloxyethyl)pyrazol-4-yl]cyclohexa-2,4-dien-1-yl]butan-2-one;3-methyl-1-(2-propan-2-yloxyspiro[3.3]heptan-6-yl)oxybutan-2-one;bis(3-methyl-1-[2-(4-pyridin-2-ylphenoxy)ethoxy]butan-2-one);bis(3-methyl-1-[2-(4-pyridin-3-ylphenoxy)ethoxy]butan-2-one);3-methyl-1-[2-(4-pyridin-4-ylphenoxy)ethoxy]butan-2-one is sourced from PubChem (CID 160941852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).