methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline

C107H111N7O11 — CID 160626981

IUPACmethane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline
SMILESC.CC(=O)CCCCc1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1.CC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)O)cc2c(-c3ccccc3)cccc12.c1cc(OCCCc2ncn[nH]2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C34H37NO3.C30H29NO3.C21H20N4O2.C21H21NO3.CH4/c1-26(36)12-9-10-17-29-22-30(24-34(37)35(2)21-20-27-13-5-3-6-14-27)31-18-11-19-33(32(31)23-29)38-25-28-15-7-4-8-16-28;1-31(18-17-22-9-4-2-5-10-22)29(32)21-25-19-23(15-16-30(33)34)20-28-26(13-8-14-27(25)28)24-11-6-3-7-12-24;1-2-8-20-16(5-1)10-11-17(24-20)14-27-19-7-3-6-18(13-19)26-12-4-9-21-22-15-23-25-21;1-16(23)5-4-14-24-19-10-12-20(13-11-19)25-15-18-9-8-17-6-2-3-7-21(17)22-18;/h3-8,11,13-16,18-19,22-23H,9-10,12,17,20-21,24-25H2,1-2H3;2-14,19-20H,15-18,21H2,1H3,(H,33,34);1-3,5-8,10-11,13,15H,4,9,12,14H2,(H,22,23,25);2-3,6-13H,4-5,14-15H2,1H3;1H4
InChIKeyRHKWTBLPFYLHFZ-UHFFFAOYSA-N
MW1671.10 g/mol
LogP21.87
Rot. Bonds38

About methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline

methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline (PubChem CID 160626981) has the molecular formula C107H111N7O11 and a molecular weight of 1671.10 g/mol. Its IUPAC name is methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Namemethane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline
PubChem CID160626981
Molecular FormulaC107H111N7O11
Molecular Weight1671.10 g/mol
Exact Mass1669.83
IUPAC Namemethane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline
SMILESC.CC(=O)CCCCc1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1.CC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)O)cc2c(-c3ccccc3)cccc12.c1cc(OCCCc2ncn[nH]2)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C34H37NO3.C30H29NO3.C21H20N4O2.C21H21NO3.CH4/c1-26(36)12-9-10-17-29-22-30(24-34(37)35(2)21-20-27-13-5-3-6-14-27)31-18-11-19-33(32(31)23-29)38-25-28-15-7-4-8-16-28;1-31(18-17-22-9-4-2-5-10-22)29(32)21-25-19-23(15-16-30(33)34)20-28-26(13-8-14-27(25)28)24-11-6-3-7-12-24;1-2-8-20-16(5-1)10-11-17(24-20)14-27-19-7-3-6-18(13-19)26-12-4-9-21-22-15-23-25-21;1-16(23)5-4-14-24-19-10-12-20(13-11-19)25-15-18-9-8-17-6-2-3-7-21(17)22-18;/h3-8,11,13-16,18-19,22-23H,9-10,12,17,20-21,24-25H2,1-2H3;2-14,19-20H,15-18,21H2,1H3,(H,33,34);1-3,5-8,10-11,13,15H,4,9,12,14H2,(H,22,23,25);2-3,6-13H,4-5,14-15H2,1H3;1H4
InChIKeyRHKWTBLPFYLHFZ-UHFFFAOYSA-N
XLogP21.87
TPSA225.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds38
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.10
LogP ≤ 521.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline with MolForge

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Related Compounds

methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate
CID 18727423
1-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]phenyl]propan-2-one;1-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[(E)-2-[4-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenyl]ethenyl]quinoline
CID 90845708
methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;2-[[3-[[3-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 90889079
2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 91176920
5-phenyl-2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]pyridine;7-[3-(quinolin-2-ylmethoxy)phenyl]heptan-2-one
CID 157591287
methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline;5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid
CID 158305391
methane;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 159995450
ethyl 2-methyl-6-[[3-[[3-methyl-2-(2-oxopropoxy)phenyl]methoxy]phenyl]methoxy]-4-phenylmethoxybenzoate;2-methyl-6-[[3-[(2,4,5-trimethylphenyl)methoxy]phenoxy]methyl]benzoic acid;2-[[4-[[2-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 160277364
ethyl 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetate;methane;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[2-[3-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[2-[3-(1H-1,2,4-triazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline
CID 160661562
2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 160863983
5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline
CID 160888788
ethyl 2-methyl-5-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-carboxylate;methane;2-[[3-[2-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid;2-[2-[(E)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenyl]acetic acid
CID 161189548

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?
The IUPAC name of methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline (CID 160626981) is methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?
The canonical SMILES for methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline is C.CC(=O)CCCCc1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1.CC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)O)cc2c(-c3ccccc3)cccc12.c1cc(OCCCc2ncn[nH]2)cc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?
The InChIKey is RHKWTBLPFYLHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO3.C30H29NO3.C21H20N4O2.C21H21NO3.CH4/c1-26(36)12-9-10-17-29-22-30(24-34(37)35(2)21-20-27-13-5-3-6-14-27)31-18-11-19-33(32(31)23-29)38-25-28-15-7-4-8-16-28;1-31(18-17-22-9-4-2-5-10-22)29(32)21-25-19-23(15-16-30(33)34)20-28-26(13-8-14-27(25)28)24-11-6-3-7-12-24;1-2-8-20-16(5-1)10-11-17(24-20)14-27-19-7-3-6-18(13-19)26-12-4-9-21-22-15-23-25-21;1-16(23)5-4-14-24-19-10-12-20(13-11-19)25-15-18-9-8-17-6-2-3-7-21(17)22-18;/h3-8,11,13-16,18-19,22-23H,9-10,12,17,20-21,24-25H2,1-2H3;2-14,19-20H,15-18,21H2,1H3,(H,33,34);1-3,5-8,10-11,13,15H,4,9,12,14H2,(H,22,23,25);2-3,6-13H,4-5,14-15H2,1H3;1H4.
What are the key properties of methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?
methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline has a molecular weight of 1671.10 g/mol, XLogP of 21.87, 38 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-2-[3-(5-oxohexyl)-5-phenylmethoxynaphthalen-1-yl]-N-(2-phenylethyl)acetamide;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 160626981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).