3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C17H23ClN2O2 — CID 111424309

IUPAC3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C17H23ClN2O2/c1-2-10-20(11-12-21)17(22)19-16(13-4-3-5-13)14-6-8-15(18)9-7-14/h2,6-9,13,16,21H,1,3-5,10-12H2,(H,19,22)
InChIKeyFLKBUMUBRTXAJM-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.37
Rot. Bonds7

About 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111424309) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111424309
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C17H23ClN2O2/c1-2-10-20(11-12-21)17(22)19-16(13-4-3-5-13)14-6-8-15(18)9-7-14/h2,6-9,13,16,21H,1,3-5,10-12H2,(H,19,22)
InChIKeyFLKBUMUBRTXAJM-UHFFFAOYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea 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

3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424240
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505907
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
3-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122000936
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
3-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424205
1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
CID 41200260
3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896590

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111424309) is 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC(c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is FLKBUMUBRTXAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-2-10-20(11-12-21)17(22)19-16(13-4-3-5-13)14-6-8-15(18)9-7-14/h2,6-9,13,16,21H,1,3-5,10-12H2,(H,19,22).
What are the key properties of 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 322.84 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-cyclobutylmethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111424309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).