1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride

C12H19ClN4O2 — CID 168664999

IUPAC1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride
SMILESCCNN=CNC(=O)Nc1c(C)cccc1OC.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)18-3;/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17);1H
InChIKeyOUNFSETVUPHHLL-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.10
Rot. Bonds5

About 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride

1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride (PubChem CID 168664999) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride
PubChem CID168664999
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride
SMILESCCNN=CNC(=O)Nc1c(C)cccc1OC.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)18-3;/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17);1H
InChIKeyOUNFSETVUPHHLL-UHFFFAOYSA-N
XLogP2.10
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride 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

1-(2,6-dimethylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
CID 168664992
1-(2-bromo-6-methylphenyl)-3-[(ethylhydrazinylidene)methyl]urea;hydrochloride
CID 168665014
1-(2-bromo-6-methylphenyl)-3-[(ethylhydrazinylidene)methyl]urea
CID 168665015
1-(2,6-dimethylphenyl)-3-[(E)-(hexylhydrazinylidene)methyl]urea;hydrochloride
CID 135599694
1-[(E)-(2-chloroethylhydrazinylidene)methyl]-3-(2,6-dimethylphenyl)urea
CID 135599697
1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
CID 3049570
1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)hydrazinylidene]methyl]urea;hydrochloride
CID 168664869
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
N-ethyl-2-methoxy-6-methylaniline
CID 22769655
1-(2-methoxy-6-methylphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]urea
CID 125168159
1-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-3-(2,6-dimethylphenyl)urea
CID 77108051
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766

Frequently Asked Questions

What is the IUPAC name of 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride?
The IUPAC name of 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride (CID 168664999) is 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride.
What is the SMILES notation for 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride?
The canonical SMILES for 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride is CCNN=CNC(=O)Nc1c(C)cccc1OC.Cl.
What is the InChIKey of 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride?
The InChIKey is OUNFSETVUPHHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)18-3;/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17);1H.
What are the key properties of 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride?
1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea;hydrochloride is sourced from PubChem (CID 168664999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).