4-(hydroxyamino)-N-(3-phenylpropyl)benzamide

C16H18N2O2 — CID 87991193

IUPAC4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(NO)cc1
InChIInChI=1S/C16H18N2O2/c19-16(14-8-10-15(18-20)11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,18,20H,4,7,12H2,(H,17,19)
InChIKeyMUNLHWOLJLOTSO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.85
Rot. Bonds6

About 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide

4-(hydroxyamino)-N-(3-phenylpropyl)benzamide (PubChem CID 87991193) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
PubChem CID87991193
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(NO)cc1
InChIInChI=1S/C16H18N2O2/c19-16(14-8-10-15(18-20)11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,18,20H,4,7,12H2,(H,17,19)
InChIKeyMUNLHWOLJLOTSO-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 91126455
4-(difluoromethylsulfonyl)-N-(3-phenylpropyl)benzamide
CID 2446042
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide (CID 87991193) is 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccc(NO)cc1.
What is the InChIKey of 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide?
The InChIKey is MUNLHWOLJLOTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(14-8-10-15(18-20)11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,18,20H,4,7,12H2,(H,17,19).
What are the key properties of 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide?
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 87991193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).