N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide

C12H21NO — CID 54520427

IUPACN-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide
SMILESCCN(C(C)=O)C1=CC(C)(C)C(C)C1
InChIInChI=1S/C12H21NO/c1-6-13(10(3)14)11-7-9(2)12(4,5)8-11/h8-9H,6-7H2,1-5H3
InChIKeyYPKSAGOCZCIMSO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds2

About N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide

N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide (PubChem CID 54520427) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide
PubChem CID54520427
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide
SMILESCCN(C(C)=O)C1=CC(C)(C)C(C)C1
InChIInChI=1S/C12H21NO/c1-6-13(10(3)14)11-7-9(2)12(4,5)8-11/h8-9H,6-7H2,1-5H3
InChIKeyYPKSAGOCZCIMSO-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide (CID 54520427) is N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide is CCN(C(C)=O)C1=CC(C)(C)C(C)C1.
What is the InChIKey of N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide?
The InChIKey is YPKSAGOCZCIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-13(10(3)14)11-7-9(2)12(4,5)8-11/h8-9H,6-7H2,1-5H3.
What are the key properties of N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide?
N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide has a molecular weight of 195.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,3,4-trimethylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 54520427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).