N-butan-2-yl-N-butyl-2-methylpropanamide

C12H25NO — CID 60744532

IUPACN-butan-2-yl-N-butyl-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)C(C)CC
InChIInChI=1S/C12H25NO/c1-6-8-9-13(11(5)7-2)12(14)10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyOHNBVZIDQMHTQS-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.07
Rot. Bonds6

About N-butan-2-yl-N-butyl-2-methylpropanamide

N-butan-2-yl-N-butyl-2-methylpropanamide (PubChem CID 60744532) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-methylpropanamide
PubChem CID60744532
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-butan-2-yl-N-butyl-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)C(C)CC
InChIInChI=1S/C12H25NO/c1-6-8-9-13(11(5)7-2)12(14)10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyOHNBVZIDQMHTQS-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.07
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-Diisopropylacetamide
CID 69797
N,N-Diethylbutanamide
CID 66192
N,N-Diisopropyl-2-methylpropanamide
CID 221978
Propanamide, N,N-dipropyl-
CID 70687
Acetamide, N-butyl-N-ethyl-
CID 202537
N,N-diethyl-2,2-dimethylpropanamide
CID 4194999
N,N-Dibutylbutanamide
CID 243368
N,N-Diethyl-3-methylbutanamide
CID 68290
N,N-Diisopropyl-1-methylcyclopropanecarboxamide
CID 369219
Propanamide, N,N-diethyl-2-methyl-
CID 141859

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-methylpropanamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-methylpropanamide (CID 60744532) is N-butan-2-yl-N-butyl-2-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-methylpropanamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-methylpropanamide is CCCCN(C(=O)C(C)C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-methylpropanamide?
The InChIKey is OHNBVZIDQMHTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-9-13(11(5)7-2)12(14)10(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-2-methylpropanamide?
N-butan-2-yl-N-butyl-2-methylpropanamide has a molecular weight of 199.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-methylpropanamide is sourced from PubChem (CID 60744532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).