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

C19H22N2O3 — CID 11221089

IUPACN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide
SMILESO=C(CCc1ccc(NC(=O)CCCc2ccccc2)cc1)NO
InChIInChI=1S/C19H22N2O3/c22-18(8-4-7-15-5-2-1-3-6-15)20-17-12-9-16(10-13-17)11-14-19(23)21-24/h1-3,5-6,9-10,12-13,24H,4,7-8,11,14H2,(H,20,22)(H,21,23)
InChIKeyHPUDPTOVKTZESW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds8

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

N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide (PubChem CID 11221089) 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]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide
PubChem CID11221089
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide
SMILESO=C(CCc1ccc(NC(=O)CCCc2ccccc2)cc1)NO
InChIInChI=1S/C19H22N2O3/c22-18(8-4-7-15-5-2-1-3-6-15)20-17-12-9-16(10-13-17)11-14-19(23)21-24/h1-3,5-6,9-10,12-13,24H,4,7-8,11,14H2,(H,20,22)(H,21,23)
InChIKeyHPUDPTOVKTZESW-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
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]-4-phenylbutanamide?
The IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide (CID 11221089) is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide is O=C(CCc1ccc(NC(=O)CCCc2ccccc2)cc1)NO.
What is the InChIKey of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide?
The InChIKey is HPUDPTOVKTZESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(8-4-7-15-5-2-1-3-6-15)20-17-12-9-16(10-13-17)11-14-19(23)21-24/h1-3,5-6,9-10,12-13,24H,4,7-8,11,14H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide?
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide has a molecular weight of 326.40 g/mol, XLogP of 3.09, 8 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]-4-phenylbutanamide is sourced from PubChem (CID 11221089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).