2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid

C33H27NO4 — CID 58677474

IUPAC2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C33H27NO4/c35-32(34-31(33(36)37)19-23-11-13-26(14-12-23)25-9-5-2-6-10-25)29-16-15-28-21-30(18-17-27(28)20-29)38-22-24-7-3-1-4-8-24/h1-18,20-21,31H,19,22H2,(H,34,35)(H,36,37)
InChIKeyHUXRBLQKSPHBHU-UHFFFAOYSA-N
MW501.58 g/mol
LogP6.51
Rot. Bonds9

About 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid

2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid (PubChem CID 58677474) has the molecular formula C33H27NO4 and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
PubChem CID58677474
Molecular FormulaC33H27NO4
Molecular Weight501.58 g/mol
Exact Mass501.19
IUPAC Name2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C33H27NO4/c35-32(34-31(33(36)37)19-23-11-13-26(14-12-23)25-9-5-2-6-10-25)29-16-15-28-21-30(18-17-27(28)20-29)38-22-24-7-3-1-4-8-24/h1-18,20-21,31H,19,22H2,(H,34,35)(H,36,37)
InChIKeyHUXRBLQKSPHBHU-UHFFFAOYSA-N
XLogP6.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-[(4-bromophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677460
2-[[6-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677412
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206
2-[[6-[(3,5-dimethylphenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677437
2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10278753
3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 58677416
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370
N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide
CID 142841286
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-2-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66913028
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
(2S)-2-[[4-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 66912654

Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid (CID 58677474) is 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid is O=C(NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid?
The InChIKey is HUXRBLQKSPHBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO4/c35-32(34-31(33(36)37)19-23-11-13-26(14-12-23)25-9-5-2-6-10-25)29-16-15-28-21-30(18-17-27(28)20-29)38-22-24-7-3-1-4-8-24/h1-18,20-21,31H,19,22H2,(H,34,35)(H,36,37).
What are the key properties of 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid?
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid has a molecular weight of 501.58 g/mol, XLogP of 6.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 58677474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).