4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid

C20H21NO4 — CID 120546799

IUPAC4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
SMILESCC(=O)c1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-14(22)16-7-9-17(10-8-16)20(25)21-18(11-12-19(23)24)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyROSQWZVVQBAJDL-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.10
Rot. Bonds8

About 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid

4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid (PubChem CID 120546799) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
PubChem CID120546799
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
SMILESCC(=O)c1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-14(22)16-7-9-17(10-8-16)20(25)21-18(11-12-19(23)24)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyROSQWZVVQBAJDL-UHFFFAOYSA-N
XLogP3.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
5-phenyl-4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pentanoic acid
CID 120547242
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546668
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid (CID 120546799) is 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid is CC(=O)c1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid?
The InChIKey is ROSQWZVVQBAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(22)16-7-9-17(10-8-16)20(25)21-18(11-12-19(23)24)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid?
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid has a molecular weight of 339.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).