1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea

C18H34N2O2 — CID 75469535

IUPAC1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCC(C)C1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)15-6-8-16(9-7-15)19-18(22)20(3)17-10-4-14(12-21)5-11-17/h13-17,21H,4-12H2,1-3H3,(H,19,22)
InChIKeyBTENEWJGPMPRDW-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.39
Rot. Bonds4

About 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea

1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea (PubChem CID 75469535) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea
PubChem CID75469535
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea
SMILESCC(C)C1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)15-6-8-16(9-7-15)19-18(22)20(3)17-10-4-14(12-21)5-11-17/h13-17,21H,4-12H2,1-3H3,(H,19,22)
InChIKeyBTENEWJGPMPRDW-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea (CID 75469535) is 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea is CC(C)C1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea?
The InChIKey is BTENEWJGPMPRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(2)15-6-8-16(9-7-15)19-18(22)20(3)17-10-4-14(12-21)5-11-17/h13-17,21H,4-12H2,1-3H3,(H,19,22).
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea?
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea has a molecular weight of 310.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-(4-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 75469535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).