(NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine

C14H20N2O3 — CID 10659263

IUPAC(NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine
SMILESC=CCN(C)C(/C=N/O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-5-8-16(2)12(10-15-17)11-6-7-13(18-3)14(9-11)19-4/h5-7,9-10,12,17H,1,8H2,2-4H3/b15-10+
InChIKeyMKVRSEVYXYVXBR-XNTDXEJSSA-N
MW264.32 g/mol
LogP2.32
Rot. Bonds7

About (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine

(NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine (PubChem CID 10659263) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine
PubChem CID10659263
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine
SMILESC=CCN(C)C(/C=N/O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-5-8-16(2)12(10-15-17)11-6-7-13(18-3)14(9-11)19-4/h5-7,9-10,12,17H,1,8H2,2-4H3/b15-10+
InChIKeyMKVRSEVYXYVXBR-XNTDXEJSSA-N
XLogP2.32
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]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

2-[bis(prop-2-enyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 82345091
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
methyl 2-(3,4-dimethoxyphenyl)but-3-enoate
CID 143227806
1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene
CID 162908621
(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine
CID 10516865
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-prop-2-enylthiourea
CID 19675678
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981899
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine (CID 10659263) is (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine is C=CCN(C)C(/C=N/O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine?
The InChIKey is MKVRSEVYXYVXBR-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-8-16(2)12(10-15-17)11-6-7-13(18-3)14(9-11)19-4/h5-7,9-10,12,17H,1,8H2,2-4H3/b15-10+.
What are the key properties of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine?
(NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine has a molecular weight of 264.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3,4-dimethoxyphenyl)-2-[methyl(prop-2-enyl)amino]ethylidene]hydroxylamine is sourced from PubChem (CID 10659263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).