1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea

C14H26N2O2 — CID 111722478

IUPAC1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
SMILESCC1(CNC(=O)NCCC2CC2)CCCCC1O
InChIInChI=1S/C14H26N2O2/c1-14(8-3-2-4-12(14)17)10-16-13(18)15-9-7-11-5-6-11/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyIOMBYBNQWNHRAT-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea

1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea (PubChem CID 111722478) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
PubChem CID111722478
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
SMILESCC1(CNC(=O)NCCC2CC2)CCCCC1O
InChIInChI=1S/C14H26N2O2/c1-14(8-3-2-4-12(14)17)10-16-13(18)15-9-7-11-5-6-11/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyIOMBYBNQWNHRAT-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722411
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111722412
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119801888
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119801909
1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446860
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
CID 96526783
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111932607

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The IUPAC name of 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea (CID 111722478) is 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea is CC1(CNC(=O)NCCC2CC2)CCCCC1O.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The InChIKey is IOMBYBNQWNHRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(8-3-2-4-12(14)17)10-16-13(18)15-9-7-11-5-6-11/h11-12,17H,2-10H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea is sourced from PubChem (CID 111722478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).