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

C155H169N9O16 — CID 158305391

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-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

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 (PubChem CID 158305391) has the molecular formula C155H169N9O16 and a molecular weight of 2414.10 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-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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158305391
• Molecular Formula: C155H169N9O16
• Molecular Weight: 2414.10 g/mol
• Exact Mass: 2412.27
• IUPAC Name: 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
• SMILES: C.C.CC(=O)CCC(C)Cc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)CCCCc1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1.CC(=O)CCCOCc1ccc(COCc2ccc3ccccc3n2)o1.CC(CCc1ncn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)O)cc2c(-c3ccccc3)cccc12.O=C(O)CCCCCc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C34H37NO3.C30H29NO3.C23H24N4O.C23H25NO2.C22H23NO3.C21H23NO4.2CH4/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;1-17(6-13-23-24-16-25-27-23)14-18-7-11-21(12-8-18)28-15-20-10-9-19-4-2-3-5-22(19)26-20;1-17(10-11-18(2)25)14-19-6-5-8-22(15-19)26-16-21-13-12-20-7-3-4-9-23(20)24-21;24-22(25)12-3-1-2-7-17-8-6-10-20(15-17)26-16-19-14-13-18-9-4-5-11-21(18)23-19;1-16(23)5-4-12-24-14-19-10-11-20(26-19)15-25-13-18-9-8-17-6-2-3-7-21(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);2-5,7-12,16-17H,6,13-15H2,1H3,(H,24,25,27);3-9,12-13,15,17H,10-11,14,16H2,1-2H3;4-6,8-11,13-15H,1-3,7,12,16H2,(H,24,25);2-3,6-11H,4-5,12-15H2,1H3;2*1H4
• InChIKey: GNAFSCKWSUABON-UHFFFAOYSA-N
• XLogP: 33.54
• TPSA: 328.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 57
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.10
LogP ≤ 5	33.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

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-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?

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-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) 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-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.

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-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?

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-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 is C.C.CC(=O)CCC(C)Cc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)CCCCc1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1.CC(=O)CCCOCc1ccc(COCc2ccc3ccccc3n2)o1.CC(CCc1ncn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1.CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)O)cc2c(-c3ccccc3)cccc12.O=C(O)CCCCCc1cccc(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-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?

The InChIKey is GNAFSCKWSUABON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO3.C30H29NO3.C23H24N4O.C23H25NO2.C22H23NO3.C21H23NO4.2CH4/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;1-17(6-13-23-24-16-25-27-23)14-18-7-11-21(12-8-18)28-15-20-10-9-19-4-2-3-5-22(19)26-20;1-17(10-11-18(2)25)14-19-6-5-8-22(15-19)26-16-21-13-12-20-7-3-4-9-23(20)24-21;24-22(25)12-3-1-2-7-17-8-6-10-20(15-17)26-16-19-14-13-18-9-4-5-11-21(18)23-19;1-16(23)5-4-12-24-14-19-10-11-20(26-19)15-25-13-18-9-8-17-6-2-3-7-21(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);2-5,7-12,16-17H,6,13-15H2,1H3,(H,24,25,27);3-9,12-13,15,17H,10-11,14,16H2,1-2H3;4-6,8-11,13-15H,1-3,7,12,16H2,(H,24,25);2-3,6-11H,4-5,12-15H2,1H3;2*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-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?

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 has a molecular weight of 2414.10 g/mol, XLogP of 33.54, 57 rotatable bonds, 3 hydrogen bond donors, and 20 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-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 is sourced from PubChem (CID 158305391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).