(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine

C16H17NO3 — CID 134924868

IUPAC(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
SMILESCOc1ccc(C/C(=N/O)c2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-15-9-8-12(11-16(15)20-2)10-14(17-18)13-6-4-3-5-7-13/h3-9,11,18H,10H2,1-2H3/b17-14-
InChIKeyHDFHHUDRWQANFO-VKAVYKQESA-N
MW271.32 g/mol
LogP3.12
Rot. Bonds5

About (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine

(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine (PubChem CID 134924868) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
PubChem CID134924868
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
SMILESCOc1ccc(C/C(=N/O)c2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-15-9-8-12(11-16(15)20-2)10-14(17-18)13-6-4-3-5-7-13/h3-9,11,18H,10H2,1-2H3/b17-14-
InChIKeyHDFHHUDRWQANFO-VKAVYKQESA-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

N-[2-(3,4-dimethylphenyl)-1-phenylethylidene]hydroxylamine
CID 174958902
(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 19608702
N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine
CID 72597447
4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
CID 136826320
(NZ)-N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 57432829
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
N-[[2-(3,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)ethylidene]amino]-1-phenylmethanesulfonamide
CID 141351759
(2E)-2-[(3,4-dimethoxyphenyl)methoxyimino]-1-phenylethanone
CID 141270318
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885736

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine (CID 134924868) is (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine is COc1ccc(C/C(=N/O)c2ccccc2)cc1OC.
What is the InChIKey of (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine?
The InChIKey is HDFHHUDRWQANFO-VKAVYKQESA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-9-8-12(11-16(15)20-2)10-14(17-18)13-6-4-3-5-7-13/h3-9,11,18H,10H2,1-2H3/b17-14-.
What are the key properties of (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine?
(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]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 (NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 134924868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).