1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea

C11H22N2O2 — CID 62525823

IUPAC1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
SMILESCCNC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-12-10(15)13-11(8-14)6-4-9(2)5-7-11/h9,14H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyHJZDKGVCGKIHQJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.25
Rot. Bonds3

About 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea

1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea (PubChem CID 62525823) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
PubChem CID62525823
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
SMILESCCNC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C11H22N2O2/c1-3-12-10(15)13-11(8-14)6-4-9(2)5-7-11/h9,14H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyHJZDKGVCGKIHQJ-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 62553169
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 114898352
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
CID 79198654
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135926
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpropanamide
CID 62726873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea?
The IUPAC name of 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea (CID 62525823) is 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea.
What is the SMILES notation for 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea?
The canonical SMILES for 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea is CCNC(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea?
The InChIKey is HJZDKGVCGKIHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12-10(15)13-11(8-14)6-4-9(2)5-7-11/h9,14H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea?
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea has a molecular weight of 214.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea is sourced from PubChem (CID 62525823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).