3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate

C24H30N2O4 — CID 4923911

IUPAC3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate
SMILESCCCNC(=O)c1ccccc1NC(=O)CCCC(=O)OCCCc1ccccc1
InChIInChI=1S/C24H30N2O4/c1-2-17-25-24(29)20-13-6-7-14-21(20)26-22(27)15-8-16-23(28)30-18-9-12-19-10-4-3-5-11-19/h3-7,10-11,13-14H,2,8-9,12,15-18H2,1H3,(H,25,29)(H,26,27)
InChIKeyCUNCUELUTDFWKX-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.11
Rot. Bonds12

About 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate

3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate (PubChem CID 4923911) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate.

Molecular Properties

Compound Name3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate
PubChem CID4923911
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate
SMILESCCCNC(=O)c1ccccc1NC(=O)CCCC(=O)OCCCc1ccccc1
InChIInChI=1S/C24H30N2O4/c1-2-17-25-24(29)20-13-6-7-14-21(20)26-22(27)15-8-16-23(28)30-18-9-12-19-10-4-3-5-11-19/h3-7,10-11,13-14H,2,8-9,12,15-18H2,1H3,(H,25,29)(H,26,27)
InChIKeyCUNCUELUTDFWKX-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylpropyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 4949518
3-phenylpropyl 5-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-5-oxopentanoate
CID 4923883
3-phenylpropyl 5-oxo-5-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioylamino]pentanoate
CID 4923420
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
CID 132561549
2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339136
3-phenylpropyl 5-[4-[(2-methylbenzoyl)amino]anilino]-5-oxopentanoate
CID 17251597
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
3-phenylpropyl 5-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate
CID 4923432
3-phenylpropyl 5-(4-heptoxyanilino)-5-oxopentanoate
CID 4951564
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate?
The IUPAC name of 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate (CID 4923911) is 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate.
What is the SMILES notation for 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate?
The canonical SMILES for 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate is CCCNC(=O)c1ccccc1NC(=O)CCCC(=O)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate?
The InChIKey is CUNCUELUTDFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-2-17-25-24(29)20-13-6-7-14-21(20)26-22(27)15-8-16-23(28)30-18-9-12-19-10-4-3-5-11-19/h3-7,10-11,13-14H,2,8-9,12,15-18H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate?
3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate has a molecular weight of 410.51 g/mol, XLogP of 4.11, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate is sourced from PubChem (CID 4923911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).