N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine

C19H23NO2 — CID 10565932

IUPACN-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine
SMILESC=CCC(COCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-9-19(16-22-15-18-12-7-4-8-13-18)20(21)14-17-10-5-3-6-11-17/h2-8,10-13,19,21H,1,9,14-16H2
InChIKeyLUEPGWJUDBJFAN-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.04
Rot. Bonds9

About N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine

N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine (PubChem CID 10565932) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine
PubChem CID10565932
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine
SMILESC=CCC(COCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-9-19(16-22-15-18-12-7-4-8-13-18)20(21)14-17-10-5-3-6-11-17/h2-8,10-13,19,21H,1,9,14-16H2
InChIKeyLUEPGWJUDBJFAN-UHFFFAOYSA-N
XLogP4.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[Benzyl(ethyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427649
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
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2-Phenyl-3-propan-2-yl-1,3-oxazolidine
CID 254611
1-[Benzyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427650
2,3-Diphenylmorpholine
CID 237154
5-Methyl-5-oxo-1-phenyl-3,4,5,6-tetrahydro-1H-2,5lambda~5~-benzoxazocine
CID 10445791
Morpholine, 4-benzyl-2-(benzyloxy)-, hydrochloride
CID 3021422
Dibenzylamino-acetic acid benzyl ester
CID 4683020
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
1-Benzyl-1-(2-phenylmethoxyethyl)piperidin-1-ium
CID 4085841
1-Benzyl-4-((benzyloxy)methyl)piperidine
CID 10063111
(4R,5S)-4-phenyl-5-phenylmethoxy-3-propan-2-yl-1,3-oxazinane
CID 44185938

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine?
The IUPAC name of N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine (CID 10565932) is N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine is C=CCC(COCc1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine?
The InChIKey is LUEPGWJUDBJFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-9-19(16-22-15-18-12-7-4-8-13-18)20(21)14-17-10-5-3-6-11-17/h2-8,10-13,19,21H,1,9,14-16H2.
What are the key properties of N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine?
N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine has a molecular weight of 297.40 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-phenylmethoxypent-4-en-2-yl)hydroxylamine is sourced from PubChem (CID 10565932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).