N-(2-ethyl-2-methylbutyl)-N-methylpentanamide

C13H27NO — CID 91117087

IUPACN-(2-ethyl-2-methylbutyl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(C)(CC)CC
InChIInChI=1S/C13H27NO/c1-6-9-10-12(15)14(5)11-13(4,7-2)8-3/h6-11H2,1-5H3
InChIKeyARIKUNUOFXHFAS-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds7

About N-(2-ethyl-2-methylbutyl)-N-methylpentanamide

N-(2-ethyl-2-methylbutyl)-N-methylpentanamide (PubChem CID 91117087) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-ethyl-2-methylbutyl)-N-methylpentanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylbutyl)-N-methylpentanamide
PubChem CID91117087
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-ethyl-2-methylbutyl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC(C)(CC)CC
InChIInChI=1S/C13H27NO/c1-6-9-10-12(15)14(5)11-13(4,7-2)8-3/h6-11H2,1-5H3
InChIKeyARIKUNUOFXHFAS-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylbutyl)-N-methylpentanamide?
The IUPAC name of N-(2-ethyl-2-methylbutyl)-N-methylpentanamide (CID 91117087) is N-(2-ethyl-2-methylbutyl)-N-methylpentanamide.
What is the SMILES notation for N-(2-ethyl-2-methylbutyl)-N-methylpentanamide?
The canonical SMILES for N-(2-ethyl-2-methylbutyl)-N-methylpentanamide is CCCCC(=O)N(C)CC(C)(CC)CC.
What is the InChIKey of N-(2-ethyl-2-methylbutyl)-N-methylpentanamide?
The InChIKey is ARIKUNUOFXHFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-9-10-12(15)14(5)11-13(4,7-2)8-3/h6-11H2,1-5H3.
What are the key properties of N-(2-ethyl-2-methylbutyl)-N-methylpentanamide?
N-(2-ethyl-2-methylbutyl)-N-methylpentanamide has a molecular weight of 213.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylbutyl)-N-methylpentanamide is sourced from PubChem (CID 91117087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).