N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide

C16H22N2O3 — CID 110354627

IUPACN-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
SMILESCC(=O)NCCCNC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(19)17-11-6-12-18-16(21)10-5-9-15(20)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3,(H,17,19)(H,18,21)
InChIKeyQLZHKGQOTJAWRS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.68
Rot. Bonds9

About N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide

N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide (PubChem CID 110354627) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
PubChem CID110354627
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
SMILESCC(=O)NCCCNC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(19)17-11-6-12-18-16(21)10-5-9-15(20)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3,(H,17,19)(H,18,21)
InChIKeyQLZHKGQOTJAWRS-UHFFFAOYSA-N
XLogP1.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 110614826
N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
CID 10632099
S-[2-oxo-2-[(8-oxo-8-phenyloctyl)amino]ethyl] ethanethioate
CID 11645714
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
CID 70466326
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
CID 108796178

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide (CID 110354627) is N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide is CC(=O)NCCCNC(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide?
The InChIKey is QLZHKGQOTJAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(19)17-11-6-12-18-16(21)10-5-9-15(20)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide?
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide has a molecular weight of 290.36 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 110354627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).