2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide

C13H25NO2 — CID 70910536

IUPAC2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide
SMILESCCNC(=O)C(OCC1CCCC1)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-14-13(15)12(10(2)3)16-9-11-7-5-6-8-11/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyWDADEMCYMZFHBT-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds6

About 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide

2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide (PubChem CID 70910536) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide
PubChem CID70910536
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide
SMILESCCNC(=O)C(OCC1CCCC1)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-14-13(15)12(10(2)3)16-9-11-7-5-6-8-11/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyWDADEMCYMZFHBT-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-ethyl-3-methylbutanamide?
The IUPAC name of 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide (CID 70910536) is 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide is CCNC(=O)C(OCC1CCCC1)C(C)C.
What is the InChIKey of 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide?
The InChIKey is WDADEMCYMZFHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-14-13(15)12(10(2)3)16-9-11-7-5-6-8-11/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide?
2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 70910536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).