N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C14H27NO — CID 59932772

IUPACN-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(C)(NC(C)=O)CC1
InChIInChI=1S/C14H27NO/c1-6-13(3,4)12-7-9-14(5,10-8-12)15-11(2)16/h12H,6-10H2,1-5H3,(H,15,16)
InChIKeyVENLTUROPKBYLL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.51
Rot. Bonds3

About N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide

N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 59932772) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
PubChem CID59932772
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(C)(NC(C)=O)CC1
InChIInChI=1S/C14H27NO/c1-6-13(3,4)12-7-9-14(5,10-8-12)15-11(2)16/h12H,6-10H2,1-5H3,(H,15,16)
InChIKeyVENLTUROPKBYLL-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 59932772) is N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(C)(NC(C)=O)CC1.
What is the InChIKey of N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The InChIKey is VENLTUROPKBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-13(3,4)12-7-9-14(5,10-8-12)15-11(2)16/h12H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 225.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 59932772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).