(NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

C17H17NO2 — CID 5415649

IUPAC(NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccc(OCc2ccccc2)cc1)=N\O
InChIInChI=1S/C17H17NO2/c1-14(18-19)7-8-15-9-11-17(12-10-15)20-13-16-5-3-2-4-6-16/h2-12,19H,13H2,1H3/b8-7+,18-14+
InChIKeyHDPQZESPJMVAAH-UABRHEIZSA-N
MW267.33 g/mol
LogP4.13
Rot. Bonds5

About (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

(NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine (PubChem CID 5415649) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
PubChem CID5415649
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccc(OCc2ccccc2)cc1)=N\O
InChIInChI=1S/C17H17NO2/c1-14(18-19)7-8-15-9-11-17(12-10-15)20-13-16-5-3-2-4-6-16/h2-12,19H,13H2,1H3/b8-7+,18-14+
InChIKeyHDPQZESPJMVAAH-UABRHEIZSA-N
XLogP4.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyl p-tolyl ether
CID 70036
3-(4-(Benzyloxy)phenyl)propan-1-ol
CID 2764076
2-(4-Hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 346838
1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
4-Ethoxybenzaldehyde oxime
CID 6904186
4-Ethoxystilbene
CID 20245531
4-(Benzyloxy)benzaldehyde oxime
CID 5331442
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
4,4'-Diethoxybiphenyl
CID 617993
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561706
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine (CID 5415649) is (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine is CC(/C=C/c1ccc(OCc2ccccc2)cc1)=N\O.
What is the InChIKey of (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
The InChIKey is HDPQZESPJMVAAH-UABRHEIZSA-N. The full InChI is InChI=1S/C17H17NO2/c1-14(18-19)7-8-15-9-11-17(12-10-15)20-13-16-5-3-2-4-6-16/h2-12,19H,13H2,1H3/b8-7+,18-14+.
What are the key properties of (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine has a molecular weight of 267.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-4-(4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 5415649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).