1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea

C16H24N2O — CID 47186131

IUPAC1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
SMILESCC1CCCC(NC(=O)NCCc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-13-6-5-9-15(12-13)18-16(19)17-11-10-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyVVSLHFQEIWIBPS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea

1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea (PubChem CID 47186131) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
PubChem CID47186131
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
SMILESCC1CCCC(NC(=O)NCCc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-13-6-5-9-15(12-13)18-16(19)17-11-10-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyVVSLHFQEIWIBPS-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110039543
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 131076439
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739142

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea (CID 47186131) is 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea is CC1CCCC(NC(=O)NCCc2ccccc2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea?
The InChIKey is VVSLHFQEIWIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-5-9-15(12-13)18-16(19)17-11-10-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea?
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea has a molecular weight of 260.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 47186131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).