N-ethyl-3-methylbutanamide

C7H15NO — CID 528605

IUPACN-ethyl-3-methylbutanamide
SMILESCCNC(=O)CC(C)C
InChIInChI=1S/C7H15NO/c1-4-8-7(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyBOQSOBHPGBKUJL-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.17
Rot. Bonds3

About N-ethyl-3-methylbutanamide

N-ethyl-3-methylbutanamide (PubChem CID 528605) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-3-methylbutanamide
PubChem CID528605
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethyl-3-methylbutanamide
SMILESCCNC(=O)CC(C)C
InChIInChI=1S/C7H15NO/c1-4-8-7(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyBOQSOBHPGBKUJL-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylbutanamide?
The IUPAC name of N-ethyl-3-methylbutanamide (CID 528605) is N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-ethyl-3-methylbutanamide?
The canonical SMILES for N-ethyl-3-methylbutanamide is CCNC(=O)CC(C)C.
What is the InChIKey of N-ethyl-3-methylbutanamide?
The InChIKey is BOQSOBHPGBKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-8-7(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-ethyl-3-methylbutanamide?
N-ethyl-3-methylbutanamide has a molecular weight of 129.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylbutanamide is sourced from PubChem (CID 528605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).