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

C17H23ClN2O2 — CID 86999635

IUPAC3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-12(14-3-2-4-15(18)9-14)19-17(21)20(16-5-6-16)10-13-7-8-22-11-13/h2-4,9,12-13,16H,5-8,10-11H2,1H3,(H,19,21)
InChIKeyVTANCXCDVZVIIK-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.61
Rot. Bonds5

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

3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 86999635) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
PubChem CID86999635
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESCC(NC(=O)N(CC1CCOC1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-12(14-3-2-4-15(18)9-14)19-17(21)20(16-5-6-16)10-13-7-8-22-11-13/h2-4,9,12-13,16H,5-8,10-11H2,1H3,(H,19,21)
InChIKeyVTANCXCDVZVIIK-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

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Related Compounds

3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
CID 87000160
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
CID 115759275
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
3-[1-(3-chlorophenyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylurea
CID 55769995
1-cyclopropyl-3-[(3-methoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 86999387

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (CID 86999635) is 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is CC(NC(=O)N(CC1CCOC1)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is VTANCXCDVZVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(14-3-2-4-15(18)9-14)19-17(21)20(16-5-6-16)10-13-7-8-22-11-13/h2-4,9,12-13,16H,5-8,10-11H2,1H3,(H,19,21).
What are the key properties of 3-[1-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
3-[1-(3-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-(3-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 86999635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).