N-butyl-N-(3-methylbutyl)acetamide

C11H23NO — CID 91698904

IUPACN-butyl-N-(3-methylbutyl)acetamide
SMILESCCCCN(CCC(C)C)C(C)=O
InChIInChI=1S/C11H23NO/c1-5-6-8-12(11(4)13)9-7-10(2)3/h10H,5-9H2,1-4H3
InChIKeyPGJMZGOUMZZJRZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.68
Rot. Bonds6

About N-butyl-N-(3-methylbutyl)acetamide

N-butyl-N-(3-methylbutyl)acetamide (PubChem CID 91698904) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-butyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(3-methylbutyl)acetamide
PubChem CID91698904
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-butyl-N-(3-methylbutyl)acetamide
SMILESCCCCN(CCC(C)C)C(C)=O
InChIInChI=1S/C11H23NO/c1-5-6-8-12(11(4)13)9-7-10(2)3/h10H,5-9H2,1-4H3
InChIKeyPGJMZGOUMZZJRZ-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dibutylpropanamide
CID 70909
N,N-Dibutylacetamide
CID 73811
N,N-Dipropylacetamide
CID 70690
N,N-Diethylbutanamide
CID 66192
N,N-Diisopropyl-2-methylpropanamide
CID 221978
Propanamide, N,N-dipropyl-
CID 70687
N,N-Dibutylbutanamide
CID 243368
N,N-Dipentylacetamide
CID 345912
Acetamide, N-butyl-N-ethyl-
CID 202537
N,N-diethyl-2,2-dimethylpropanamide
CID 4194999
N,N-Diethyl-3-methylbutanamide
CID 68290
1-(3-Methylbutyl)pyrrolidine
CID 108876

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-methylbutyl)acetamide?
The IUPAC name of N-butyl-N-(3-methylbutyl)acetamide (CID 91698904) is N-butyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-butyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-butyl-N-(3-methylbutyl)acetamide is CCCCN(CCC(C)C)C(C)=O.
What is the InChIKey of N-butyl-N-(3-methylbutyl)acetamide?
The InChIKey is PGJMZGOUMZZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-8-12(11(4)13)9-7-10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of N-butyl-N-(3-methylbutyl)acetamide?
N-butyl-N-(3-methylbutyl)acetamide has a molecular weight of 185.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 91698904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).