2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid

C19H20N2O4 — CID 3470516

IUPAC2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-3-15(19(24)25)20-18(23)14-6-4-5-7-16(14)21-17(22)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyNGHOGFNFZVXSRC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.84
Rot. Bonds6

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

2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid (PubChem CID 3470516) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid
PubChem CID3470516
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-3-15(19(24)25)20-18(23)14-6-4-5-7-16(14)21-17(22)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyNGHOGFNFZVXSRC-UHFFFAOYSA-N
XLogP2.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid (CID 3470516) is 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid?
The InChIKey is NGHOGFNFZVXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-15(19(24)25)20-18(23)14-6-4-5-7-16(14)21-17(22)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid?
2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.84, 6 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]butanoic acid is sourced from PubChem (CID 3470516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).