2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide

C13H25NO2 — CID 70921332

IUPAC2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-13(2,3)11(12(15)14-4)16-9-10-7-5-6-8-10/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyXHMSHCOUNFIFFE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds4

About 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide

2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide (PubChem CID 70921332) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide
PubChem CID70921332
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-13(2,3)11(12(15)14-4)16-9-10-7-5-6-8-10/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyXHMSHCOUNFIFFE-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide (CID 70921332) is 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide is CNC(=O)C(OCC1CCCC1)C(C)(C)C.
What is the InChIKey of 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide?
The InChIKey is XHMSHCOUNFIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)11(12(15)14-4)16-9-10-7-5-6-8-10/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide?
2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 70921332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).