1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

C18H34N2O2 — CID 75494619

IUPAC1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCC1CCC(CN(C)C(=O)NCC2CCOC2C(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)17-16(9-10-22-17)11-19-18(21)20(4)12-15-7-5-14(3)6-8-15/h13-17H,5-12H2,1-4H3,(H,19,21)
InChIKeyOOGQGRLYLLMNAG-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.52
Rot. Bonds5

About 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (PubChem CID 75494619) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
PubChem CID75494619
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCC1CCC(CN(C)C(=O)NCC2CCOC2C(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)17-16(9-10-22-17)11-19-18(21)20(4)12-15-7-5-14(3)6-8-15/h13-17H,5-12H2,1-4H3,(H,19,21)
InChIKeyOOGQGRLYLLMNAG-UHFFFAOYSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The IUPAC name of 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (CID 75494619) is 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is CC1CCC(CN(C)C(=O)NCC2CCOC2C(C)C)CC1.
What is the InChIKey of 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The InChIKey is OOGQGRLYLLMNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(2)17-16(9-10-22-17)11-19-18(21)20(4)12-15-7-5-14(3)6-8-15/h13-17H,5-12H2,1-4H3,(H,19,21).
What are the key properties of 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea has a molecular weight of 310.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(4-methylcyclohexyl)methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is sourced from PubChem (CID 75494619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).