3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea

C13H26N2O2 — CID 111123429

IUPAC3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H26N2O2/c1-4-15(7-8-16)13(17)14-12-6-5-10(2)9-11(12)3/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyYABABRLHLCMUEZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.83
Rot. Bonds4

About 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 111123429) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID111123429
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H26N2O2/c1-4-15(7-8-16)13(17)14-12-6-5-10(2)9-11(12)3/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeyYABABRLHLCMUEZ-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
CID 115625378
2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
CID 63997172
3-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 63997577
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
1,1-diethyl-3-(2-methylcyclopentyl)urea
CID 115613954
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
1-(2,4-dimethylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 111123431
(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 107569791
(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827924
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 111123429) is 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NC1CCC(C)CC1C.
What is the InChIKey of 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is YABABRLHLCMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(7-8-16)13(17)14-12-6-5-10(2)9-11(12)3/h10-12,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 242.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111123429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).