N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide

C11H21NO — CID 162401417

IUPACN-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C
InChIInChI=1S/C11H21NO/c1-8-7-11(3,4)6-5-10(8)12-9(2)13/h8,10H,5-7H2,1-4H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyCGRUSESPSAEKHZ-SCZZXKLOSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds1

About N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide

N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide (PubChem CID 162401417) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
PubChem CID162401417
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
SMILESCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C
InChIInChI=1S/C11H21NO/c1-8-7-11(3,4)6-5-10(8)12-9(2)13/h8,10H,5-7H2,1-4H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyCGRUSESPSAEKHZ-SCZZXKLOSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide?
The IUPAC name of N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide (CID 162401417) is N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide is CC(=O)N[C@H]1CCC(C)(C)C[C@H]1C.
What is the InChIKey of N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide?
The InChIKey is CGRUSESPSAEKHZ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-7-11(3,4)6-5-10(8)12-9(2)13/h8,10H,5-7H2,1-4H3,(H,12,13)/t8-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide?
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide has a molecular weight of 183.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 162401417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).