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

C17H24N2O — CID 110490785

IUPAC1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea
SMILESCC1CCCCC1NC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-13-7-5-6-10-15(13)18-16(20)19-17(11-12-17)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,18,19,20)
InChIKeyXVOJPVKMUJTOKH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.55
Rot. Bonds3

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

1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea (PubChem CID 110490785) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea
PubChem CID110490785
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea
SMILESCC1CCCCC1NC(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-13-7-5-6-10-15(13)18-16(20)19-17(11-12-17)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,18,19,20)
InChIKeyXVOJPVKMUJTOKH-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
1-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(1-phenylcyclopropyl)urea
CID 97216512
(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylprop-2-enamide
CID 7515644
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
CID 134003762
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea (CID 110490785) is 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea is CC1CCCCC1NC(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is XVOJPVKMUJTOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-7-5-6-10-15(13)18-16(20)19-17(11-12-17)14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea?
1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 272.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 110490785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).