2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid

C23H20N2O5 — CID 75429308

IUPAC2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1-c1ccccc1
InChIInChI=1S/C23H20N2O5/c1-30-20-12-9-17(13-19(20)15-5-3-2-4-6-15)23(29)25-18-10-7-16(8-11-18)22(28)24-14-21(26)27/h2-13H,14H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyRPYJQKADKDTZOR-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.43
Rot. Bonds7

About 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid

2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 75429308) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID75429308
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1-c1ccccc1
InChIInChI=1S/C23H20N2O5/c1-30-20-12-9-17(13-19(20)15-5-3-2-4-6-15)23(29)25-18-10-7-16(8-11-18)22(28)24-14-21(26)27/h2-13H,14H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyRPYJQKADKDTZOR-UHFFFAOYSA-N
XLogP3.43
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-methoxy-3-phenylbenzoyl)amino]benzoate
CID 110424178
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
2-[[4-[(3,4-diaminobenzoyl)amino]benzoyl]amino]acetic acid
CID 142911227
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
CID 49320232
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-cyclopentyloxy-N-(4-cyclopentyloxy-3-phenylphenyl)-3-phenylbenzamide
CID 134391732

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid (CID 75429308) is 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid is COc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1-c1ccccc1.
What is the InChIKey of 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is RPYJQKADKDTZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-30-20-12-9-17(13-19(20)15-5-3-2-4-6-15)23(29)25-18-10-7-16(8-11-18)22(28)24-14-21(26)27/h2-13H,14H2,1H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 404.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 75429308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).