1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea

C16H22N2O — CID 108915633

IUPAC1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
SMILESC/C(=C\NC(=O)NCCc1cccc(C)c1)C1CC1
InChIInChI=1S/C16H22N2O/c1-12-4-3-5-14(10-12)8-9-17-16(19)18-11-13(2)15-6-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H2,17,18,19)/b13-11+
InChIKeySDCYLLHPWXDSSL-ACCUITESSA-N
MW258.36 g/mol
LogP3.15
Rot. Bonds5

About 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea

1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea (PubChem CID 108915633) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
PubChem CID108915633
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
SMILESC/C(=C\NC(=O)NCCc1cccc(C)c1)C1CC1
InChIInChI=1S/C16H22N2O/c1-12-4-3-5-14(10-12)8-9-17-16(19)18-11-13(2)15-6-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H2,17,18,19)/b13-11+
InChIKeySDCYLLHPWXDSSL-ACCUITESSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea 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

4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
N,N-dimethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]propanamide
CID 60610481
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758
1-[2-(3-methylphenyl)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108900783
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108900751
2,3-dimethyl-4-[2-(3-methylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 76992295
3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoic acid
CID 108915296

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea (CID 108915633) is 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea is C/C(=C\NC(=O)NCCc1cccc(C)c1)C1CC1.
What is the InChIKey of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea?
The InChIKey is SDCYLLHPWXDSSL-ACCUITESSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-4-3-5-14(10-12)8-9-17-16(19)18-11-13(2)15-6-7-15/h3-5,10-11,15H,6-9H2,1-2H3,(H2,17,18,19)/b13-11+.
What are the key properties of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea?
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea has a molecular weight of 258.36 g/mol, XLogP of 3.15, 5 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-[2-(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 108915633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).