5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid

C20H22N2O4 — CID 17222888

IUPAC5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c23-18(10-5-11-20(25)26)21-16-8-4-9-17(14-16)22-19(24)13-12-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyFNUGANLZLGMZPH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.45
Rot. Bonds9

About 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid

5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid (PubChem CID 17222888) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
PubChem CID17222888
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c23-18(10-5-11-20(25)26)21-16-8-4-9-17(14-16)22-19(24)13-12-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyFNUGANLZLGMZPH-UHFFFAOYSA-N
XLogP3.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoate
CID 17222891
5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
CID 54868224
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17223129
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
3-(4-carboxybutanoylamino)benzoic acid
CID 735327
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid (CID 17222888) is 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid?
The InChIKey is FNUGANLZLGMZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18(10-5-11-20(25)26)21-16-8-4-9-17(14-16)22-19(24)13-12-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid?
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid is sourced from PubChem (CID 17222888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).