2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid

C23H20N2O4 — CID 2883482

IUPAC2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyFIUJJLVCDCAELT-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.36
Rot. Bonds7

About 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid

2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 2883482) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
PubChem CID2883482
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyFIUJJLVCDCAELT-UHFFFAOYSA-N
XLogP3.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid (CID 2883482) is 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid is O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is FIUJJLVCDCAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-21(17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)22(27)25-20(23(28)29)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid?
2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 388.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 2883482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).