2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid

C25H23NO6 — CID 162350857

IUPAC2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid
SMILESCOc1ccc(C(CC(=O)O)C(NC(=O)c2ccccc2)(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO6/c1-32-20-14-12-17(13-15-20)21(16-22(27)28)25(24(30)31,19-10-6-3-7-11-19)26-23(29)18-8-4-2-5-9-18/h2-15,21H,16H2,1H3,(H,26,29)(H,27,28)(H,30,31)
InChIKeyLWHKIYAKYPKRCW-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.66
Rot. Bonds9

About 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid

2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid (PubChem CID 162350857) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid.

Molecular Properties

Compound Name2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid
PubChem CID162350857
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Name2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid
SMILESCOc1ccc(C(CC(=O)O)C(NC(=O)c2ccccc2)(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO6/c1-32-20-14-12-17(13-15-20)21(16-22(27)28)25(24(30)31,19-10-6-3-7-11-19)26-23(29)18-8-4-2-5-9-18/h2-15,21H,16H2,1H3,(H,26,29)(H,27,28)(H,30,31)
InChIKeyLWHKIYAKYPKRCW-UHFFFAOYSA-N
XLogP3.66
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-2-(4-methoxyphenyl)-3-phenylpentanedioic acid
CID 162350832
2-benzamido-2,3-bis(4-methylphenyl)pentanedioic acid
CID 162350853
2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid
CID 162350839
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;methane;1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 159705023
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
N-[(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxo-1-(2-phenylpropan-2-ylamino)propan-2-yl]benzamide
CID 14696315
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
3-(4-tert-butylphenyl)-3-[(3-methoxybenzoyl)amino]propanoic acid
CID 3537441

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid?
The IUPAC name of 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid (CID 162350857) is 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid.
What is the SMILES notation for 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid?
The canonical SMILES for 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid is COc1ccc(C(CC(=O)O)C(NC(=O)c2ccccc2)(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid?
The InChIKey is LWHKIYAKYPKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-32-20-14-12-17(13-15-20)21(16-22(27)28)25(24(30)31,19-10-6-3-7-11-19)26-23(29)18-8-4-2-5-9-18/h2-15,21H,16H2,1H3,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid?
2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid has a molecular weight of 433.46 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid is sourced from PubChem (CID 162350857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).