(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine

C14H19NO3 — CID 82001227

IUPAC(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OC2CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-10(15-16)13-8-7-12(17-2)9-14(13)18-11-5-3-4-6-11/h7-9,11,16H,3-6H2,1-2H3/b15-10+
InChIKeyAUPGRRSQAOEDRB-XNTDXEJSSA-N
MW249.31 g/mol
LogP3.21
Rot. Bonds4

About (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine (PubChem CID 82001227) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
PubChem CID82001227
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OC2CCCC2)c1
InChIInChI=1S/C14H19NO3/c1-10(15-16)13-8-7-12(17-2)9-14(13)18-11-5-3-4-6-11/h7-9,11,16H,3-6H2,1-2H3/b15-10+
InChIKeyAUPGRRSQAOEDRB-XNTDXEJSSA-N
XLogP3.21
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
CID 82001380
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 82003088
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82001759
(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
CID 82927238
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]pentan-1-ol
CID 82001458
(NE)-N-[1-[4-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002078
1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
CID 82001609

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine (CID 82001227) is (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine is COc1ccc(/C(C)=N/O)c(OC2CCCC2)c1.
What is the InChIKey of (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is AUPGRRSQAOEDRB-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(15-16)13-8-7-12(17-2)9-14(13)18-11-5-3-4-6-11/h7-9,11,16H,3-6H2,1-2H3/b15-10+.
What are the key properties of (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 82001227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).