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

C16H17NO3 — CID 5402606

IUPAC(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(C/C(=N\O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-7-3-12(4-8-14)11-16(17-18)13-5-9-15(20-2)10-6-13/h3-10,18H,11H2,1-2H3/b17-16+
InChIKeyHQIRMFJXORPNQN-WUKNDPDISA-N
MW271.32 g/mol
LogP3.12
Rot. Bonds5

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

(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine (PubChem CID 5402606) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
PubChem CID5402606
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(C/C(=N\O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-7-3-12(4-8-14)11-16(17-18)13-5-9-15(20-2)10-6-13/h3-10,18H,11H2,1-2H3/b17-16+
InChIKeyHQIRMFJXORPNQN-WUKNDPDISA-N
XLogP3.12
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.12
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'}

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Related Compounds

(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
(E)-N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 21473328
2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
CID 54101281
(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine
CID 56668464
(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one
CID 162405653
(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
CID 134924868
(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine
CID 59857614
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
CID 136826320
[(E)-[1-(4-methoxyphenyl)-2-(4-nitrophenyl)ethylidene]amino] acetate
CID 7244988
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine (CID 5402606) is (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine is COc1ccc(C/C(=N\O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is HQIRMFJXORPNQN-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-7-3-12(4-8-14)11-16(17-18)13-5-9-15(20-2)10-6-13/h3-10,18H,11H2,1-2H3/b17-16+.
What are the key properties of (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine?
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 271.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 5402606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).