dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide

C290H484N26O29 — CID 158960354

About dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide

dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide (PubChem CID 158960354) has the molecular formula C290H484N26O29 and a molecular weight of 4799.22 g/mol. Its IUPAC name is dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide.

Molecular Properties

• Compound Name: dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide
• PubChem CID: 158960354
• Molecular Formula: C290H484N26O29
• Molecular Weight: 4799.22 g/mol
• Exact Mass: 4795.72
• IUPAC Name: dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide
• SMILES: CCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCC(=O)NCCN1CCCCC1.CCCCCCCC(=O)NCCc1ccccn1.CCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1.CCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1.CCCCCCCC(=O)Nc1ccccc1-n1cccc1.CCCCCCCCCC(=O)NCCN1CCCCC1.CCCCCCCCCC(=O)NCCc1ccccn1.CCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1.CCCCCCCCCC(=O)Nc1ccccc1-n1cccc1.CCCCCCCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCCCCC(=O)NCCN1CCCCC1.CCCCCCCCCCCCC(=O)NCCc1ccccn1.CCCCCCCCCCCCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1.CCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1
• InChI: InChI=1S/C23H35NO5.C22H35NO3.C20H28N2O.C20H40N2O.C20H34N2O.C19H38N2O.C19H29NO3.C18H24N2O.C17H34N2O.C17H28N2O.2C17H25NO3.C16H29NO2.C15H30N2O.C15H24N2O.C15H26N2O/c1-4-5-6-7-8-9-10-11-12-13-14-21(25)24-20-16-18(22(26)28-2)15-19(17-20)23(27)29-3;1-3-5-6-7-8-9-10-11-12-13-14-21(24)23-20-17-15-19(16-18-20)22(25)26-4-2;1-2-3-4-5-6-7-8-15-20(23)21-18-13-9-10-14-19(18)22-16-11-12-17-22;1-2-3-4-5-6-7-8-9-10-12-15-20(23)21-16-19-22-17-13-11-14-18-22;1-2-3-4-5-6-7-8-9-10-11-15-20(23)22-18-16-19-14-12-13-17-21-19;1-2-3-4-5-6-7-8-9-10-11-14-19(22)20-15-18-21-16-12-13-17-21;1-3-5-6-7-8-9-10-11-18(21)20-17-14-12-16(13-15-17)19(22)23-4-2;1-2-3-4-5-6-13-18(21)19-16-11-7-8-12-17(16)20-14-9-10-15-20;1-2-3-4-5-6-7-9-12-17(20)18-13-16-19-14-10-8-11-15-19;1-2-3-4-5-6-7-8-12-17(20)19-15-13-16-11-9-10-14-18-16;2*1-3-5-6-7-8-9-16(19)18-15-12-10-14(11-13-15)17(20)21-4-2;1-2-3-4-5-6-10-15(18)11-7-8-13-17-14-9-12-16(17)19;1-2-3-4-5-7-10-15(18)16-11-14-17-12-8-6-9-13-17;1-2-3-4-5-6-10-15(18)17-13-11-14-9-7-8-12-16-14;1-2-3-4-5-6-9-15(18)10-7-8-12-17-13-11-16-14-17/h15-17H,4-14H2,1-3H3,(H,24,25);15-18H,3-14H2,1-2H3,(H,23,24);9-14,16-17H,2-8,15H2,1H3,(H,21,23);2-19H2,1H3,(H,21,23);12-14,17H,2-11,15-16,18H2,1H3,(H,22,23);2-18H2,1H3,(H,20,22);12-15H,3-11H2,1-2H3,(H,20,21);7-12,14-15H,2-6,13H2,1H3,(H,19,21);2-16H2,1H3,(H,18,20);9-11,14H,2-8,12-13,15H2,1H3,(H,19,20);2*10-13H,3-9H2,1-2H3,(H,18,19);2-14H2,1H3;2-14H2,1H3,(H,16,18);7-9,12H,2-6,10-11,13H2,1H3,(H,17,18);11,13-14H,2-10,12H2,1H3
• InChIKey: JMNQYMHUOISLFE-UHFFFAOYSA-N
• XLogP: 71.03
• TPSA: 698.96 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 179
• Heavy Atoms: 345
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4799.22
LogP ≤ 5	71.03
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide?

The IUPAC name of dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide (CID 158960354) is dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide.

What is the SMILES notation for dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide?

The canonical SMILES for dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide is CCCCCCCC(=O)CCCCN1CCCC1=O.CCCCCCCC(=O)CCCCn1ccnc1.CCCCCCCC(=O)NCCN1CCCCC1.CCCCCCCC(=O)NCCc1ccccn1.CCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1.CCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1.CCCCCCCC(=O)Nc1ccccc1-n1cccc1.CCCCCCCCCC(=O)NCCN1CCCCC1.CCCCCCCCCC(=O)NCCc1ccccn1.CCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1.CCCCCCCCCC(=O)Nc1ccccc1-n1cccc1.CCCCCCCCCCCCC(=O)NCCN1CCCC1.CCCCCCCCCCCCC(=O)NCCN1CCCCC1.CCCCCCCCCCCCC(=O)NCCc1ccccn1.CCCCCCCCCCCCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1.CCCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1.

What is the InChIKey of dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide?

The InChIKey is JMNQYMHUOISLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO5.C22H35NO3.C20H28N2O.C20H40N2O.C20H34N2O.C19H38N2O.C19H29NO3.C18H24N2O.C17H34N2O.C17H28N2O.2C17H25NO3.C16H29NO2.C15H30N2O.C15H24N2O.C15H26N2O/c1-4-5-6-7-8-9-10-11-12-13-14-21(25)24-20-16-18(22(26)28-2)15-19(17-20)23(27)29-3;1-3-5-6-7-8-9-10-11-12-13-14-21(24)23-20-17-15-19(16-18-20)22(25)26-4-2;1-2-3-4-5-6-7-8-15-20(23)21-18-13-9-10-14-19(18)22-16-11-12-17-22;1-2-3-4-5-6-7-8-9-10-12-15-20(23)21-16-19-22-17-13-11-14-18-22;1-2-3-4-5-6-7-8-9-10-11-15-20(23)22-18-16-19-14-12-13-17-21-19;1-2-3-4-5-6-7-8-9-10-11-14-19(22)20-15-18-21-16-12-13-17-21;1-3-5-6-7-8-9-10-11-18(21)20-17-14-12-16(13-15-17)19(22)23-4-2;1-2-3-4-5-6-13-18(21)19-16-11-7-8-12-17(16)20-14-9-10-15-20;1-2-3-4-5-6-7-9-12-17(20)18-13-16-19-14-10-8-11-15-19;1-2-3-4-5-6-7-8-12-17(20)19-15-13-16-11-9-10-14-18-16;2*1-3-5-6-7-8-9-16(19)18-15-12-10-14(11-13-15)17(20)21-4-2;1-2-3-4-5-6-10-15(18)11-7-8-13-17-14-9-12-16(17)19;1-2-3-4-5-7-10-15(18)16-11-14-17-12-8-6-9-13-17;1-2-3-4-5-6-10-15(18)17-13-11-14-9-7-8-12-16-14;1-2-3-4-5-6-9-15(18)10-7-8-12-17-13-11-16-14-17/h15-17H,4-14H2,1-3H3,(H,24,25);15-18H,3-14H2,1-2H3,(H,23,24);9-14,16-17H,2-8,15H2,1H3,(H,21,23);2-19H2,1H3,(H,21,23);12-14,17H,2-11,15-16,18H2,1H3,(H,22,23);2-18H2,1H3,(H,20,22);12-15H,3-11H2,1-2H3,(H,20,21);7-12,14-15H,2-6,13H2,1H3,(H,19,21);2-16H2,1H3,(H,18,20);9-11,14H,2-8,12-13,15H2,1H3,(H,19,20);2*10-13H,3-9H2,1-2H3,(H,18,19);2-14H2,1H3;2-14H2,1H3,(H,16,18);7-9,12H,2-6,10-11,13H2,1H3,(H,17,18);11,13-14H,2-10,12H2,1H3.

What are the key properties of dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide?

dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide has a molecular weight of 4799.22 g/mol, XLogP of 71.03, 179 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 5-(tridecanoylamino)benzene-1,3-dicarboxylate;ethyl 4-(decanoylamino)benzoate;bis(ethyl 4-(octanoylamino)benzoate);ethyl 4-(tridecanoylamino)benzoate;1-imidazol-1-yldodecan-5-one;1-(5-oxododecyl)pyrrolidin-2-one;N-(2-piperidin-1-ylethyl)decanamide;N-(2-piperidin-1-ylethyl)octanamide;N-(2-piperidin-1-ylethyl)tridecanamide;N-(2-pyridin-2-ylethyl)decanamide;N-(2-pyridin-2-ylethyl)octanamide;N-(2-pyridin-2-ylethyl)tridecanamide;N-(2-pyrrolidin-1-ylethyl)tridecanamide;N-(2-pyrrol-1-ylphenyl)decanamide;N-(2-pyrrol-1-ylphenyl)octanamide is sourced from PubChem (CID 158960354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).