2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid

C21H24N2O4 — CID 119220552

IUPAC2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid
SMILESCCC(CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-15(16-6-4-14(2)5-7-16)12-19(24)23-18-10-8-17(9-11-18)21(27)22-13-20(25)26/h4-11,15H,3,12-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyOXNTZSQJZPACLD-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.33
Rot. Bonds8

About 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid

2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid (PubChem CID 119220552) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid
PubChem CID119220552
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid
SMILESCCC(CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-15(16-6-4-14(2)5-7-16)12-19(24)23-18-10-8-17(9-11-18)21(27)22-13-20(25)26/h4-11,15H,3,12-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyOXNTZSQJZPACLD-UHFFFAOYSA-N
XLogP3.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(3-methylhexanoylamino)benzoyl]amino]acetic acid
CID 119220462
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
2-[[4-(3-cyclohexylbutanoylamino)benzoyl]amino]acetic acid
CID 119220363
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[(2R)-2-(4-fluorophenyl)butyl]-4-methylbenzamide
CID 100829555

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid (CID 119220552) is 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid is CCC(CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid?
The InChIKey is OXNTZSQJZPACLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-15(16-6-4-14(2)5-7-16)12-19(24)23-18-10-8-17(9-11-18)21(27)22-13-20(25)26/h4-11,15H,3,12-13H2,1-2H3,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid?
2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid has a molecular weight of 368.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119220552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).