2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide

C15H27NO2 — CID 91915001

IUPAC2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1CCCCC1
InChIInChI=1S/C15H27NO2/c1-16(12-14-7-9-18-10-8-14)15(17)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyIDTLEAGDWCRODM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide

2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 91915001) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID91915001
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1CCCCC1
InChIInChI=1S/C15H27NO2/c1-16(12-14-7-9-18-10-8-14)15(17)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3
InChIKeyIDTLEAGDWCRODM-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 91915001) is 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide is CN(CC1CCOCC1)C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is IDTLEAGDWCRODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-16(12-14-7-9-18-10-8-14)15(17)11-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3.
What are the key properties of 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide?
2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 91915001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).