N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide

C19H22N2O3 — CID 11359314

IUPACN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(CCC(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(16-5-3-2-4-6-16)13-19(23)20-17-10-7-15(8-11-17)9-12-18(22)21-24/h2-8,10-11,14,24H,9,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyGQIHSDHCXBUPNW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.26
Rot. Bonds7

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

N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide (PubChem CID 11359314) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
PubChem CID11359314
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(CCC(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(16-5-3-2-4-6-16)13-19(23)20-17-10-7-15(8-11-17)9-12-18(22)21-24/h2-8,10-11,14,24H,9,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyGQIHSDHCXBUPNW-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.26
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'}

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Related Compounds

2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
4-[4-(4-phenylpentanoylamino)phenyl]butanoic acid
CID 23404985
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide?
The IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide (CID 11359314) is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide is CC(CC(=O)Nc1ccc(CCC(=O)NO)cc1)c1ccccc1.
What is the InChIKey of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide?
The InChIKey is GQIHSDHCXBUPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(16-5-3-2-4-6-16)13-19(23)20-17-10-7-15(8-11-17)9-12-18(22)21-24/h2-8,10-11,14,24H,9,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide?
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide has a molecular weight of 326.40 g/mol, XLogP of 3.26, 7 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]-3-phenylbutanamide is sourced from PubChem (CID 11359314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).