N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide

C14H26N2O2 — CID 4155081

IUPACN-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1(C)CC(NC(C)=O)CC(C)(C)C1
InChIInChI=1S/C14H26N2O2/c1-10(17)15-9-14(5)7-12(16-11(2)18)6-13(3,4)8-14/h12H,6-9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyZZRDGBIIUCMQDZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.84
Rot. Bonds3

About N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide

N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide (PubChem CID 4155081) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide
PubChem CID4155081
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide
SMILESCC(=O)NCC1(C)CC(NC(C)=O)CC(C)(C)C1
InChIInChI=1S/C14H26N2O2/c1-10(17)15-9-14(5)7-12(16-11(2)18)6-13(3,4)8-14/h12H,6-9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyZZRDGBIIUCMQDZ-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide?
The IUPAC name of N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide (CID 4155081) is N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide.
What is the SMILES notation for N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide?
The canonical SMILES for N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide is CC(=O)NCC1(C)CC(NC(C)=O)CC(C)(C)C1.
What is the InChIKey of N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide?
The InChIKey is ZZRDGBIIUCMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(17)15-9-14(5)7-12(16-11(2)18)6-13(3,4)8-14/h12H,6-9H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide?
N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 4155081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).