acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid

C161H165F3N18O19 — CID 158525928

About acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid

acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid (PubChem CID 158525928) has the molecular formula C161H165F3N18O19 and a molecular weight of 2716.21 g/mol. Its IUPAC name is acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid.

Molecular Properties

• Compound Name: acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid
• PubChem CID: 158525928
• Molecular Formula: C161H165F3N18O19
• Molecular Weight: 2716.21 g/mol
• Exact Mass: 2714.26
• IUPAC Name: acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid
• SMILES: C1CCOC1.CC(=O)O.CN(CC(=O)Nc1c(N)cc(OCc2ccccc2)c2ccccc12)c1ccccc1.CN(CC(=O)O)c1ccccc1.CN(Cc1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2)c1ccccc1.CN(Cc1nc2c(cc(O)c3ccccc32)[nH]1)c1ccccc1.CN(Cc1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1)c1ccccc1.COC(=O)CN(C)c1ccccc1.Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12.Nc1cc(OCc2ccccc2)c2ccccc2c1N.O=C(O)CCc1ccccc1.[2H]CF.[2H]CF.[2H]CF
• InChI: InChI=1S/C26H25N3O2.C26H23N3O.C19H15N3O2.C19H17N3O.C17H14N2O3.C17H16N2O.C10H13NO2.C9H11NO2.C9H10O2.C4H8O.C2H4O2.3CH3F/c1-29(20-12-6-3-7-13-20)17-25(30)28-26-22-15-9-8-14-21(22)24(16-23(26)27)31-18-19-10-4-2-5-11-19;1-29(20-12-6-3-7-13-20)17-25-27-23-16-24(30-18-19-10-4-2-5-11-19)21-14-8-9-15-22(21)26(23)28-25;1-22(12-7-3-2-4-8-12)11-15-20-16-13-9-5-6-10-14(13)18(23)19(24)17(16)21-15;1-22(13-7-3-2-4-8-13)12-18-20-16-11-17(23)14-9-5-6-10-15(14)19(16)21-18;18-17-14-9-5-4-8-13(14)16(10-15(17)19(20)21)22-11-12-6-2-1-3-7-12;18-15-10-16(20-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19;1-11(8-10(12)13-2)9-6-4-3-5-7-9;1-10(7-9(11)12)8-5-3-2-4-6-8;10-9(11)7-6-8-4-2-1-3-5-8;1-2-4-5-3-1;1-2(3)4;3*1-2/h2-16H,17-18,27H2,1H3,(H,28,30);2-16H,17-18H2,1H3,(H,27,28);2-10H,11H2,1H3,(H,20,21);2-11,23H,12H2,1H3,(H,20,21);1-10H,11,18H2;1-10H,11,18-19H2;3-7H,8H2,1-2H3;2-6H,7H2,1H3,(H,11,12);1-5H,6-7H2,(H,10,11);1-4H2;1H3,(H,3,4);3*1H3/i;;;;;;;;;;;3*1D
• InChIKey: RVPAYHSAQUVJCF-AFCPMIJLSA-N
• XLogP: 32.50
• TPSA: 520.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2716.21
LogP ≤ 5	32.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid?

The IUPAC name of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid (CID 158525928) is acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid.

What is the SMILES notation for acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid?

The canonical SMILES for acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid is C1CCOC1.CC(=O)O.CN(CC(=O)Nc1c(N)cc(OCc2ccccc2)c2ccccc12)c1ccccc1.CN(CC(=O)O)c1ccccc1.CN(Cc1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2)c1ccccc1.CN(Cc1nc2c(cc(O)c3ccccc32)[nH]1)c1ccccc1.CN(Cc1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1)c1ccccc1.COC(=O)CN(C)c1ccccc1.Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12.Nc1cc(OCc2ccccc2)c2ccccc2c1N.O=C(O)CCc1ccccc1.[2H]CF.[2H]CF.[2H]CF.

What is the InChIKey of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid?

The InChIKey is RVPAYHSAQUVJCF-AFCPMIJLSA-N. The full InChI is InChI=1S/C26H25N3O2.C26H23N3O.C19H15N3O2.C19H17N3O.C17H14N2O3.C17H16N2O.C10H13NO2.C9H11NO2.C9H10O2.C4H8O.C2H4O2.3CH3F/c1-29(20-12-6-3-7-13-20)17-25(30)28-26-22-15-9-8-14-21(22)24(16-23(26)27)31-18-19-10-4-2-5-11-19;1-29(20-12-6-3-7-13-20)17-25-27-23-16-24(30-18-19-10-4-2-5-11-19)21-14-8-9-15-22(21)26(23)28-25;1-22(12-7-3-2-4-8-12)11-15-20-16-13-9-5-6-10-14(13)18(23)19(24)17(16)21-15;1-22(13-7-3-2-4-8-13)12-18-20-16-11-17(23)14-9-5-6-10-15(14)19(16)21-18;18-17-14-9-5-4-8-13(14)16(10-15(17)19(20)21)22-11-12-6-2-1-3-7-12;18-15-10-16(20-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19;1-11(8-10(12)13-2)9-6-4-3-5-7-9;1-10(7-9(11)12)8-5-3-2-4-6-8;10-9(11)7-6-8-4-2-1-3-5-8;1-2-4-5-3-1;1-2(3)4;3*1-2/h2-16H,17-18,27H2,1H3,(H,28,30);2-16H,17-18H2,1H3,(H,27,28);2-10H,11H2,1H3,(H,20,21);2-11,23H,12H2,1H3,(H,20,21);1-10H,11,18H2;1-10H,11,18-19H2;3-7H,8H2,1-2H3;2-6H,7H2,1H3,(H,11,12);1-5H,6-7H2,(H,10,11);1-4H2;1H3,(H,3,4);3*1H3/i;;;;;;;;;;;3*1D.

What are the key properties of acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid?

acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid has a molecular weight of 2716.21 g/mol, XLogP of 32.50, 35 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-(2-amino-4-phenylmethoxynaphthalen-1-yl)-2-(N-methylanilino)acetamide;deuterio(fluoro)methane;2-(N-methylanilino)acetic acid;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazole-4,5-dione;2-[(N-methylanilino)methyl]-3H-benzo[e]benzimidazol-5-ol;methyl 2-(N-methylanilino)acetate;N-methyl-N-[(5-phenylmethoxy-3H-benzo[e]benzimidazol-2-yl)methyl]aniline;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;4-phenylmethoxynaphthalene-1,2-diamine;3-phenylpropanoic acid is sourced from PubChem (CID 158525928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).