3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

C17H23ClN2O2 — CID 86999680

IUPAC3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-12(14-2-4-15(18)5-3-14)19-17(21)20(16-6-7-16)10-13-8-9-22-11-13/h2-5,12-13,16H,6-11H2,1H3,(H,19,21)
InChIKeyZIQXETRTNZHKLU-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.61
Rot. Bonds5

About 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 86999680) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
PubChem CID86999680
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-12(14-2-4-15(18)5-3-14)19-17(21)20(16-6-7-16)10-13-8-9-22-11-13/h2-5,12-13,16H,6-11H2,1H3,(H,19,21)
InChIKeyZIQXETRTNZHKLU-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)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

3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999635
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
CID 87000160
3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea
CID 53497872
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963883
1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 97088481
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (CID 86999680) is 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is CC(NC(=O)N(CC1CCOC1)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is ZIQXETRTNZHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(14-2-4-15(18)5-3-14)19-17(21)20(16-6-7-16)10-13-8-9-22-11-13/h2-5,12-13,16H,6-11H2,1H3,(H,19,21).
What are the key properties of 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 322.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 86999680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).