2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one

C84H110N8O10 — CID 54422455

IUPAC2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CCCCn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21.Cn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C32H43N3O4.C29H37N3O4.C23H30N2O2/c1-6-7-12-35-27-10-8-23(29(36)31(2,3)33-13-17-38-18-14-33)21-25(27)26-22-24(9-11-28(26)35)30(37)32(4,5)34-15-19-39-20-16-34;1-28(2,31-10-14-35-15-11-31)26(33)20-6-8-24-22(18-20)23-19-21(7-9-25(23)30(24)5)27(34)29(3,4)32-12-16-36-17-13-32;1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h8-11,21-22H,6-7,12-20H2,1-5H3;6-9,18-19H,10-17H2,1-5H3;5-13H,4,14-18H2,1-3H3
InChIKeyWBTOZPUIGYGXBA-UHFFFAOYSA-N
MW1391.85 g/mol
LogP12.76
Rot. Bonds22

About 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one

2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 54422455) has the molecular formula C84H110N8O10 and a molecular weight of 1391.85 g/mol. Its IUPAC name is 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID54422455
Molecular FormulaC84H110N8O10
Molecular Weight1391.85 g/mol
Exact Mass1390.83
IUPAC Name2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CCCCn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21.Cn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C32H43N3O4.C29H37N3O4.C23H30N2O2/c1-6-7-12-35-27-10-8-23(29(36)31(2,3)33-13-17-38-18-14-33)21-25(27)26-22-24(9-11-28(26)35)30(37)32(4,5)34-15-19-39-20-16-34;1-28(2,31-10-14-35-15-11-31)26(33)20-6-8-24-22(18-20)23-19-21(7-9-25(23)30(24)5)27(34)29(3,4)32-12-16-36-17-13-32;1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h8-11,21-22H,6-7,12-20H2,1-5H3;6-9,18-19H,10-17H2,1-5H3;5-13H,4,14-18H2,1-3H3
InChIKeyWBTOZPUIGYGXBA-UHFFFAOYSA-N
XLogP12.76
TPSA160.80 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001391.85
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one (CID 54422455) is 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one is CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CCCCn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21.Cn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21.
What is the InChIKey of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is WBTOZPUIGYGXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O4.C29H37N3O4.C23H30N2O2/c1-6-7-12-35-27-10-8-23(29(36)31(2,3)33-13-17-38-18-14-33)21-25(27)26-22-24(9-11-28(26)35)30(37)32(4,5)34-15-19-39-20-16-34;1-28(2,31-10-14-35-15-11-31)26(33)20-6-8-24-22(18-20)23-19-21(7-9-25(23)30(24)5)27(34)29(3,4)32-12-16-36-17-13-32;1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h8-11,21-22H,6-7,12-20H2,1-5H3;6-9,18-19H,10-17H2,1-5H3;5-13H,4,14-18H2,1-3H3.
What are the key properties of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one?
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 1391.85 g/mol, XLogP of 12.76, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 54422455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).