[4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea

C13H18N2O — CID 141145853

IUPAC[4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea
SMILESCc1cc(CC2CC2)cc(C)c1NC(N)=O
InChIInChI=1S/C13H18N2O/c1-8-5-11(7-10-3-4-10)6-9(2)12(8)15-13(14)16/h5-6,10H,3-4,7H2,1-2H3,(H3,14,15,16)
InChIKeyYIYKBTIEJIMOAH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.75
Rot. Bonds3

About [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea

[4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea (PubChem CID 141145853) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea
PubChem CID141145853
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea
SMILESCc1cc(CC2CC2)cc(C)c1NC(N)=O
InChIInChI=1S/C13H18N2O/c1-8-5-11(7-10-3-4-10)6-9(2)12(8)15-13(14)16/h5-6,10H,3-4,7H2,1-2H3,(H3,14,15,16)
InChIKeyYIYKBTIEJIMOAH-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea?
The IUPAC name of [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea (CID 141145853) is [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea.
What is the SMILES notation for [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea?
The canonical SMILES for [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea is Cc1cc(CC2CC2)cc(C)c1NC(N)=O.
What is the InChIKey of [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea?
The InChIKey is YIYKBTIEJIMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-5-11(7-10-3-4-10)6-9(2)12(8)15-13(14)16/h5-6,10H,3-4,7H2,1-2H3,(H3,14,15,16).
What are the key properties of [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea?
[4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea has a molecular weight of 218.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)-2,6-dimethylphenyl]urea is sourced from PubChem (CID 141145853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).