1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea

C14H26N2O2 — CID 71868655

IUPAC1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NCC2CCCC2O)CC1
InChIInChI=1S/C14H26N2O2/c1-10-5-7-12(8-6-10)16-14(18)15-9-11-3-2-4-13(11)17/h10-13,17H,2-9H2,1H3,(H2,15,16,18)
InChIKeyMVMKJUHDRAEYGC-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds3

About 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea

1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea (PubChem CID 71868655) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea
PubChem CID71868655
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)NCC2CCCC2O)CC1
InChIInChI=1S/C14H26N2O2/c1-10-5-7-12(8-6-10)16-14(18)15-9-11-3-2-4-13(11)17/h10-13,17H,2-9H2,1H3,(H2,15,16,18)
InChIKeyMVMKJUHDRAEYGC-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea (CID 71868655) is 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)NCC2CCCC2O)CC1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea?
The InChIKey is MVMKJUHDRAEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-5-7-12(8-6-10)16-14(18)15-9-11-3-2-4-13(11)17/h10-13,17H,2-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea?
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 71868655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).