2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid

C24H22N2O4 — CID 2883609

IUPAC2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H22N2O4/c1-16-11-13-18(14-12-16)22(27)25-20-10-6-5-9-19(20)23(28)26-21(24(29)30)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyWIVHFTSJDBFRDA-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.67
Rot. Bonds7

About 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid

2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid (PubChem CID 2883609) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid
PubChem CID2883609
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H22N2O4/c1-16-11-13-18(14-12-16)22(27)25-20-10-6-5-9-19(20)23(28)26-21(24(29)30)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)(H,29,30)
InChIKeyWIVHFTSJDBFRDA-UHFFFAOYSA-N
XLogP3.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5042
CID 5042
CID 25218530
CID 25218530
CID 25218531
CID 25218531
CID 25218532
CID 25218532
CID 25218533
CID 25218533
CID 25218534
CID 25218534
CID 1069143
CID 1069143
CID 1277922
CID 1277922
CID 969464
CID 969464
CID 11200806
CID 11200806
CID 11235484
CID 11235484
CID 25218529
CID 25218529

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid (CID 2883609) is 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid is Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid?
The InChIKey is WIVHFTSJDBFRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-11-13-18(14-12-16)22(27)25-20-10-6-5-9-19(20)23(28)26-21(24(29)30)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,25,27)(H,26,28)(H,29,30).
What are the key properties of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid?
2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid has a molecular weight of 402.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 2883609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).