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

C13H18N2O3 — CID 11414031

IUPACN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C13H18N2O3/c1-2-3-12(16)14-11-7-4-10(5-8-11)6-9-13(17)15-18/h4-5,7-8,18H,2-3,6,9H2,1H3,(H,14,16)(H,15,17)
InChIKeyGDXOJZRJOSSMPP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.86
Rot. Bonds6

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

N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide (PubChem CID 11414031) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide
PubChem CID11414031
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C13H18N2O3/c1-2-3-12(16)14-11-7-4-10(5-8-11)6-9-13(17)15-18/h4-5,7-8,18H,2-3,6,9H2,1H3,(H,14,16)(H,15,17)
InChIKeyGDXOJZRJOSSMPP-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide?
The IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide (CID 11414031) is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide?
The canonical SMILES for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CCC(=O)NO)cc1.
What is the InChIKey of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide?
The InChIKey is GDXOJZRJOSSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-12(16)14-11-7-4-10(5-8-11)6-9-13(17)15-18/h4-5,7-8,18H,2-3,6,9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide?
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]butanamide has a molecular weight of 250.30 g/mol, XLogP of 1.86, 6 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]butanamide is sourced from PubChem (CID 11414031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).