2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid

C123H119N3O15 — CID 157225480

IUPAC2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCC(=O)CCCCC(Cc1ccc(CC(=O)N(C)CCc2ccccc2)c2ccccc12)c1ccccc1.CC/C(=C\c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1)C(=O)O.CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2cc(OCc3ccc(-c4ccccc4)cc3)ccc12.COC(=O)c1cc(CC(=O)O)c2cccc(Oc3ccccc3)c2c1
InChIInChI=1S/C35H31NO4.C35H39NO2.C33H33NO4.C20H16O5/c1-36(19-18-25-8-4-2-5-9-25)34(37)23-30-21-31(35(38)39)20-29-22-32(16-17-33(29)30)40-24-26-12-14-28(15-13-26)27-10-6-3-7-11-27;1-27(37)13-9-10-18-30(29-16-7-4-8-17-29)25-31-21-22-32(34-20-12-11-19-33(31)34)26-35(38)36(2)24-23-28-14-5-3-6-15-28;1-3-27(33(36)37)19-26-20-28(22-32(35)34(2)18-17-24-11-6-4-7-12-24)29-15-10-16-31(30(29)21-26)38-23-25-13-8-5-9-14-25;1-24-20(23)14-10-13(12-19(21)22)16-8-5-9-18(17(16)11-14)25-15-6-3-2-4-7-15/h2-17,20-22H,18-19,23-24H2,1H3,(H,38,39);3-8,11-12,14-17,19-22,30H,9-10,13,18,23-26H2,1-2H3;4-16,19-21H,3,17-18,22-23H2,1-2H3,(H,36,37);2-11H,12H2,1H3,(H,21,22)/b;;27-19+;
InChIKeyATMICTZGVPXTHV-FGNZIDBKSA-N
MW1879.31 g/mol
LogP25.17
Rot. Bonds39

About 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid

2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid (PubChem CID 157225480) has the molecular formula C123H119N3O15 and a molecular weight of 1879.31 g/mol. Its IUPAC name is 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid
PubChem CID157225480
Molecular FormulaC123H119N3O15
Molecular Weight1879.31 g/mol
Exact Mass1877.86
IUPAC Name2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCC(=O)CCCCC(Cc1ccc(CC(=O)N(C)CCc2ccccc2)c2ccccc12)c1ccccc1.CC/C(=C\c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1)C(=O)O.CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2cc(OCc3ccc(-c4ccccc4)cc3)ccc12.COC(=O)c1cc(CC(=O)O)c2cccc(Oc3ccccc3)c2c1
InChIInChI=1S/C35H31NO4.C35H39NO2.C33H33NO4.C20H16O5/c1-36(19-18-25-8-4-2-5-9-25)34(37)23-30-21-31(35(38)39)20-29-22-32(16-17-33(29)30)40-24-26-12-14-28(15-13-26)27-10-6-3-7-11-27;1-27(37)13-9-10-18-30(29-16-7-4-8-17-29)25-31-21-22-32(34-20-12-11-19-33(31)34)26-35(38)36(2)24-23-28-14-5-3-6-15-28;1-3-27(33(36)37)19-26-20-28(22-32(35)34(2)18-17-24-11-6-4-7-12-24)29-15-10-16-31(30(29)21-26)38-23-25-13-8-5-9-14-25;1-24-20(23)14-10-13(12-19(21)22)16-8-5-9-18(17(16)11-14)25-15-6-3-2-4-7-15/h2-17,20-22H,18-19,23-24H2,1H3,(H,38,39);3-8,11-12,14-17,19-22,30H,9-10,13,18,23-26H2,1-2H3;4-16,19-21H,3,17-18,22-23H2,1-2H3,(H,36,37);2-11H,12H2,1H3,(H,21,22)/b;;27-19+;
InChIKeyATMICTZGVPXTHV-FGNZIDBKSA-N
XLogP25.17
TPSA243.89 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.31
LogP ≤ 525.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid with MolForge

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Related Compounds

5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]penta-3,4-dienoic acid
CID 15296686
methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
CID 10043459
4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid
CID 127024734
2-[[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]methylidene]butanoic acid
CID 54097807
4-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-8-phenylmethoxynaphthalene-2-carboxylic acid
CID 20597928
methyl (Z)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoate
CID 10646909
methyl 4-ethenyl-8-phenylmethoxynaphthalene-2-carboxylate
CID 10041568
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
3-[1-[2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoic acid
CID 19372260
(E)-3-methoxycarbonyl-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 68858206
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
ethyl acetate;ethyl 4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 90757798

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid (CID 157225480) is 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid is CC(=O)CCCCC(Cc1ccc(CC(=O)N(C)CCc2ccccc2)c2ccccc12)c1ccccc1.CC/C(=C\c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1)C(=O)O.CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)O)cc2cc(OCc3ccc(-c4ccccc4)cc3)ccc12.COC(=O)c1cc(CC(=O)O)c2cccc(Oc3ccccc3)c2c1.
What is the InChIKey of 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid?
The InChIKey is ATMICTZGVPXTHV-FGNZIDBKSA-N. The full InChI is InChI=1S/C35H31NO4.C35H39NO2.C33H33NO4.C20H16O5/c1-36(19-18-25-8-4-2-5-9-25)34(37)23-30-21-31(35(38)39)20-29-22-32(16-17-33(29)30)40-24-26-12-14-28(15-13-26)27-10-6-3-7-11-27;1-27(37)13-9-10-18-30(29-16-7-4-8-17-29)25-31-21-22-32(34-20-12-11-19-33(31)34)26-35(38)36(2)24-23-28-14-5-3-6-15-28;1-3-27(33(36)37)19-26-20-28(22-32(35)34(2)18-17-24-11-6-4-7-12-24)29-15-10-16-31(30(29)21-26)38-23-25-13-8-5-9-14-25;1-24-20(23)14-10-13(12-19(21)22)16-8-5-9-18(17(16)11-14)25-15-6-3-2-4-7-15/h2-17,20-22H,18-19,23-24H2,1H3,(H,38,39);3-8,11-12,14-17,19-22,30H,9-10,13,18,23-26H2,1-2H3;4-16,19-21H,3,17-18,22-23H2,1-2H3,(H,36,37);2-11H,12H2,1H3,(H,21,22)/b;;27-19+;.
What are the key properties of 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid?
2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid has a molecular weight of 1879.31 g/mol, XLogP of 25.17, 39 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycarbonyl-5-phenoxynaphthalen-1-yl)acetic acid;N-methyl-2-[4-(7-oxo-2-phenyloctyl)naphthalen-1-yl]-N-(2-phenylethyl)acetamide;(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid;4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-7-[(4-phenylphenyl)methoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 157225480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).