1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea

C16H24N2O2 — CID 94192179

IUPAC1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
SMILESC[C@@H](COc1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13(12-20-15-10-6-3-7-11-15)17-16(19)18-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyIFRGQDQMKFIHHQ-ZDUSSCGKSA-N
MW276.38 g/mol
LogP3.09
Rot. Bonds5

About 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea

1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea (PubChem CID 94192179) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
PubChem CID94192179
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
SMILESC[C@@H](COc1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-13(12-20-15-10-6-3-7-11-15)17-16(19)18-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyIFRGQDQMKFIHHQ-ZDUSSCGKSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]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

1-cyclononyl-3-[(2S)-1-(3-methylphenoxy)-4-phenoxybutan-2-yl]urea
CID 163436088
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86826887
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110820909
2-[(2R)-2-methylpiperidin-1-yl]-N-[(2S)-1-phenoxypropan-2-yl]acetamide
CID 129360205

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea (CID 94192179) is 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea is C[C@@H](COc1ccccc1)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea?
The InChIKey is IFRGQDQMKFIHHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(12-20-15-10-6-3-7-11-15)17-16(19)18-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H2,17,18,19)/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea?
1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea is sourced from PubChem (CID 94192179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).