1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea

C17H32N2O — CID 166381083

IUPAC1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea
SMILESCCCC1CCCCC1CNC(=O)NCCC1CCC1
InChIInChI=1S/C17H32N2O/c1-2-6-15-9-3-4-10-16(15)13-19-17(20)18-12-11-14-7-5-8-14/h14-16H,2-13H2,1H3,(H2,18,19,20)
InChIKeyOUMDCEXHNCULMN-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.08
Rot. Bonds7

About 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea

1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea (PubChem CID 166381083) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea
PubChem CID166381083
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea
SMILESCCCC1CCCCC1CNC(=O)NCCC1CCC1
InChIInChI=1S/C17H32N2O/c1-2-6-15-9-3-4-10-16(15)13-19-17(20)18-12-11-14-7-5-8-14/h14-16H,2-13H2,1H3,(H2,18,19,20)
InChIKeyOUMDCEXHNCULMN-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106005026
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858704
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
1-[(2-aminocyclohexyl)methyl]-3-ethylurea
CID 64927851
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea?
The IUPAC name of 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea (CID 166381083) is 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea is CCCC1CCCCC1CNC(=O)NCCC1CCC1.
What is the InChIKey of 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea?
The InChIKey is OUMDCEXHNCULMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-6-15-9-3-4-10-16(15)13-19-17(20)18-12-11-14-7-5-8-14/h14-16H,2-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea?
1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea has a molecular weight of 280.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethyl)-3-[(2-propylcyclohexyl)methyl]urea is sourced from PubChem (CID 166381083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).