1-(2-cyano-3-methylphenyl)-3-ethylurea

C11H13N3O — CID 103710079

IUPAC1-(2-cyano-3-methylphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C11H13N3O/c1-3-13-11(15)14-10-6-4-5-8(2)9(10)7-12/h4-6H,3H2,1-2H3,(H2,13,14,15)
InChIKeyOAWGNSFCUPWHKL-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-cyano-3-methylphenyl)-3-ethylurea

1-(2-cyano-3-methylphenyl)-3-ethylurea (PubChem CID 103710079) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-cyano-3-methylphenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2-cyano-3-methylphenyl)-3-ethylurea
PubChem CID103710079
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(2-cyano-3-methylphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C11H13N3O/c1-3-13-11(15)14-10-6-4-5-8(2)9(10)7-12/h4-6H,3H2,1-2H3,(H2,13,14,15)
InChIKeyOAWGNSFCUPWHKL-UHFFFAOYSA-N
XLogP2.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyano-3-methylphenyl)-3-ethylurea 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-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
2-[(2-cyano-3-methylphenyl)carbamoylamino]pentanoic acid
CID 107799883
4-[(2-cyano-3-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 107799923
N-(2-cyano-3-methylphenyl)-2-methylpentanamide
CID 113241611
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
(2R)-2-[(2-cyano-3-methylphenyl)carbamoylamino]propanoic acid
CID 107799913
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
3-[(2-cyano-3-methylphenyl)carbamoylamino]hexanoic acid
CID 107799956
N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
CID 107801603
N-(2-cyano-3-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107805244

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3-methylphenyl)-3-ethylurea?
The IUPAC name of 1-(2-cyano-3-methylphenyl)-3-ethylurea (CID 103710079) is 1-(2-cyano-3-methylphenyl)-3-ethylurea.
What is the SMILES notation for 1-(2-cyano-3-methylphenyl)-3-ethylurea?
The canonical SMILES for 1-(2-cyano-3-methylphenyl)-3-ethylurea is CCNC(=O)Nc1cccc(C)c1C#N.
What is the InChIKey of 1-(2-cyano-3-methylphenyl)-3-ethylurea?
The InChIKey is OAWGNSFCUPWHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-13-11(15)14-10-6-4-5-8(2)9(10)7-12/h4-6H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-cyano-3-methylphenyl)-3-ethylurea?
1-(2-cyano-3-methylphenyl)-3-ethylurea has a molecular weight of 203.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3-methylphenyl)-3-ethylurea is sourced from PubChem (CID 103710079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).