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

C16H23ClN2O2 — CID 119074169

IUPAC3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea
SMILESCCN(C(=O)NC(C)c1ccccc1Cl)C1CCOCC1
InChIInChI=1S/C16H23ClN2O2/c1-3-19(13-8-10-21-11-9-13)16(20)18-12(2)14-6-4-5-7-15(14)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyLHAJRMZDHMFKCN-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.61
Rot. Bonds4

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

3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea (PubChem CID 119074169) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea
PubChem CID119074169
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea
SMILESCCN(C(=O)NC(C)c1ccccc1Cl)C1CCOCC1
InChIInChI=1S/C16H23ClN2O2/c1-3-19(13-8-10-21-11-9-13)16(20)18-12(2)14-6-4-5-7-15(14)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyLHAJRMZDHMFKCN-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
CID 115583154
3-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653331
1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea
CID 86881053
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
1-(2-chlorophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 111565238
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973443
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
4-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120918857
1-benzyl-3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 70653571
3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653454

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea?
The IUPAC name of 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea (CID 119074169) is 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea is CCN(C(=O)NC(C)c1ccccc1Cl)C1CCOCC1.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea?
The InChIKey is LHAJRMZDHMFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-19(13-8-10-21-11-9-13)16(20)18-12(2)14-6-4-5-7-15(14)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea?
3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea has a molecular weight of 310.82 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea is sourced from PubChem (CID 119074169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).