1-[2-(4-ethylphenyl)ethyl]-1-methylurea

C12H18N2O — CID 115168590

IUPAC1-[2-(4-ethylphenyl)ethyl]-1-methylurea
SMILESCCc1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-3-10-4-6-11(7-5-10)8-9-14(2)12(13)15/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyGPYDCLHXLCYXGU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(4-ethylphenyl)ethyl]-1-methylurea

1-[2-(4-ethylphenyl)ethyl]-1-methylurea (PubChem CID 115168590) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)ethyl]-1-methylurea
PubChem CID115168590
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[2-(4-ethylphenyl)ethyl]-1-methylurea
SMILESCCc1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-3-10-4-6-11(7-5-10)8-9-14(2)12(13)15/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyGPYDCLHXLCYXGU-UHFFFAOYSA-N
XLogP1.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-ethylphenyl)ethyl]-1-methylurea 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-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
CID 115168679
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
N-[2-(4-ethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176585
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
(E)-4-[2-(4-ethylphenyl)ethyl-methylamino]-4-oxobut-2-enoic acid
CID 115177305
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
N-[2-(4-ethylphenyl)ethyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182438
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]-1-methylurea
CID 115168646
3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116844908
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-1-methylurea (CID 115168590) is 1-[2-(4-ethylphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(4-ethylphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(4-ethylphenyl)ethyl]-1-methylurea is CCc1ccc(CCN(C)C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)ethyl]-1-methylurea?
The InChIKey is GPYDCLHXLCYXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10-4-6-11(7-5-10)8-9-14(2)12(13)15/h4-7H,3,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-[2-(4-ethylphenyl)ethyl]-1-methylurea?
1-[2-(4-ethylphenyl)ethyl]-1-methylurea has a molecular weight of 206.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).