3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea

C16H23ClN2O2 — CID 86826801

IUPAC3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
SMILESCN(CC1CCCCO1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-19(12-15-4-2-3-11-21-15)16(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyJZMOOOSVFFKKIW-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.09
Rot. Bonds5

About 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea

3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea (PubChem CID 86826801) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
PubChem CID86826801
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
SMILESCN(CC1CCCCO1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-19(12-15-4-2-3-11-21-15)16(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)
InChIKeyJZMOOOSVFFKKIW-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-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-butyl-1-methyl-1-(oxan-2-ylmethyl)urea
CID 115589808
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86861539
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
N-[2-(4-chlorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]acetamide
CID 112800421
3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125165219
N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 55770289
1-methyl-3-[2-(2-methylimidazol-1-yl)ethyl]-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125145804

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
The IUPAC name of 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea (CID 86826801) is 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea is CN(CC1CCCCO1)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
The InChIKey is JZMOOOSVFFKKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(12-15-4-2-3-11-21-15)16(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,18,20).
What are the key properties of 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea has a molecular weight of 310.82 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea is sourced from PubChem (CID 86826801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).