[(2S)-2-phenylcyclohexyl]urea

C13H18N2O — CID 141176309

IUPAC[(2S)-2-phenylcyclohexyl]urea
SMILESNC(=O)NC1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C13H18N2O/c14-13(16)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H3,14,15,16)/t11-,12?/m0/s1
InChIKeyIZEZWFGSNHJADG-PXYINDEMSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds2

About [(2S)-2-phenylcyclohexyl]urea

[(2S)-2-phenylcyclohexyl]urea (PubChem CID 141176309) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [(2S)-2-phenylcyclohexyl]urea.

Molecular Properties

Compound Name[(2S)-2-phenylcyclohexyl]urea
PubChem CID141176309
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[(2S)-2-phenylcyclohexyl]urea
SMILESNC(=O)NC1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C13H18N2O/c14-13(16)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H3,14,15,16)/t11-,12?/m0/s1
InChIKeyIZEZWFGSNHJADG-PXYINDEMSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R)-2-phenylcyclopentyl]thiourea
CID 54152607
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673133
1-amino-N-(2-phenylcyclopentyl)cyclopropane-1-carboxamide
CID 119783047
N'-[(1R,2S)-2-phenylcyclohexyl]benzohydrazide
CID 125468545
2-(4-aminophenyl)-N-(2-phenylcyclopentyl)acetamide;hydrochloride
CID 119783054
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-(2-phenylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119323259
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenylcyclohexyl]urea?
The IUPAC name of [(2S)-2-phenylcyclohexyl]urea (CID 141176309) is [(2S)-2-phenylcyclohexyl]urea.
What is the SMILES notation for [(2S)-2-phenylcyclohexyl]urea?
The canonical SMILES for [(2S)-2-phenylcyclohexyl]urea is NC(=O)NC1CCCC[C@H]1c1ccccc1.
What is the InChIKey of [(2S)-2-phenylcyclohexyl]urea?
The InChIKey is IZEZWFGSNHJADG-PXYINDEMSA-N. The full InChI is InChI=1S/C13H18N2O/c14-13(16)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H3,14,15,16)/t11-,12?/m0/s1.
What are the key properties of [(2S)-2-phenylcyclohexyl]urea?
[(2S)-2-phenylcyclohexyl]urea has a molecular weight of 218.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenylcyclohexyl]urea is sourced from PubChem (CID 141176309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).