1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea

C12H22N2O2 — CID 109394253

IUPAC1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)NC2CCC(O)CC2)CCC1
InChIInChI=1S/C12H22N2O2/c1-12(7-2-8-12)14-11(16)13-9-3-5-10(15)6-4-9/h9-10,15H,2-8H2,1H3,(H2,13,14,16)
InChIKeyMYMGNUNAMRMIKU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.53
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea

1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea (PubChem CID 109394253) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea
PubChem CID109394253
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)NC2CCC(O)CC2)CCC1
InChIInChI=1S/C12H22N2O2/c1-12(7-2-8-12)14-11(16)13-9-3-5-10(15)6-4-9/h9-10,15H,2-8H2,1H3,(H2,13,14,16)
InChIKeyMYMGNUNAMRMIKU-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
1-cyclopentyl-3-(1-methylcyclopropyl)urea
CID 115635212
2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845890
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 113257455
1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
CID 91659891
N-(4-hydroxycyclohexyl)-2-methylthiolane-2-carboxamide
CID 80949249
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106211177
1-cyclobutyl-3-(1-ethylcyclobutyl)urea
CID 115673198
N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 111425069
1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea (CID 109394253) is 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea is CC1(NC(=O)NC2CCC(O)CC2)CCC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea?
The InChIKey is MYMGNUNAMRMIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(7-2-8-12)14-11(16)13-9-3-5-10(15)6-4-9/h9-10,15H,2-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea?
1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(1-methylcyclobutyl)urea is sourced from PubChem (CID 109394253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).