1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea

C15H20N2O — CID 108915455

IUPAC1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)N/C=C(\C)C2CC2)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-4-8-14(9-5-12)17-15(18)16-10-11(2)13-6-7-13/h4-5,8-10,13H,3,6-7H2,1-2H3,(H2,16,17,18)/b11-10+
InChIKeyGYHGNACGROYIGW-ZHACJKMWSA-N
MW244.34 g/mol
LogP3.68
Rot. Bonds4

About 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea

1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea (PubChem CID 108915455) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea
PubChem CID108915455
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)N/C=C(\C)C2CC2)cc1
InChIInChI=1S/C15H20N2O/c1-3-12-4-8-14(9-5-12)17-15(18)16-10-11(2)13-6-7-13/h4-5,8-10,13H,3,6-7H2,1-2H3,(H2,16,17,18)/b11-10+
InChIKeyGYHGNACGROYIGW-ZHACJKMWSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)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 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea (CID 108915455) is 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)N/C=C(\C)C2CC2)cc1.
What is the InChIKey of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea?
The InChIKey is GYHGNACGROYIGW-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-12-4-8-14(9-5-12)17-15(18)16-10-11(2)13-6-7-13/h4-5,8-10,13H,3,6-7H2,1-2H3,(H2,16,17,18)/b11-10+.
What are the key properties of 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea?
1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea has a molecular weight of 244.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 108915455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).