N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide

C17H26N2O3 — CID 11738326

IUPACN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C17H26N2O3/c1-3-5-14(6-4-2)17(21)18-15-10-7-13(8-11-15)9-12-16(20)19-22/h7-8,10-11,14,22H,3-6,9,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKGAFAXUXSBOZLS-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.28
Rot. Bonds9

About N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide

N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide (PubChem CID 11738326) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide
PubChem CID11738326
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C17H26N2O3/c1-3-5-14(6-4-2)17(21)18-15-10-7-13(8-11-15)9-12-16(20)19-22/h7-8,10-11,14,22H,3-6,9,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKGAFAXUXSBOZLS-UHFFFAOYSA-N
XLogP3.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide 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-[4-[[(2S)-2-aminopentanoyl]amino]phenyl]propanoic acid
CID 107570295
2-(aminomethyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 65224864
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
N-[4-[1-(methylamino)ethyl]phenyl]-2-propylpentanamide
CID 82985299
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
N-[4-(2-propylpentanoylamino)phenyl]furan-2-carboxamide
CID 804751
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N,3-bis(4-methylphenyl)propanamide
CID 19220434
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-amino-N-(4-propylphenyl)propanamide
CID 43378686

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide?
The IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide (CID 11738326) is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide.
What is the SMILES notation for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide?
The canonical SMILES for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc(CCC(=O)NO)cc1.
What is the InChIKey of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide?
The InChIKey is KGAFAXUXSBOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-5-14(6-4-2)17(21)18-15-10-7-13(8-11-15)9-12-16(20)19-22/h7-8,10-11,14,22H,3-6,9,12H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide?
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide has a molecular weight of 306.41 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-propylpentanamide is sourced from PubChem (CID 11738326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).