N-(dimethylcarbamoyl)-N-methylbutanamide

C8H16N2O2 — CID 178179553

IUPACN-(dimethylcarbamoyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C(=O)N(C)C
InChIInChI=1S/C8H16N2O2/c1-5-6-7(11)10(4)8(12)9(2)3/h5-6H2,1-4H3
InChIKeyPVJLSUQKZDTLMR-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.93
Rot. Bonds2

About N-(dimethylcarbamoyl)-N-methylbutanamide

N-(dimethylcarbamoyl)-N-methylbutanamide (PubChem CID 178179553) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-N-methylbutanamide
PubChem CID178179553
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(dimethylcarbamoyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C(=O)N(C)C
InChIInChI=1S/C8H16N2O2/c1-5-6-7(11)10(4)8(12)9(2)3/h5-6H2,1-4H3
InChIKeyPVJLSUQKZDTLMR-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetyl-N-methylbutanamide
CID 142271883
N,N-dimethylbutanamide;hydrochloride
CID 87498306
N,N-dibromobutanamide
CID 154147629
CID 18739109
CID 18739109
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
N-decanoyl-N-methyldecanamide
CID 141076390
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856
N-methyl-N-sulfamoylbutanamide
CID 173192281
1-[methyl(sulfinato)amino]-1-oxobutane
CID 91447373
dimethylcarbamoyl(methyl)carbamic acid;hydrochloride
CID 88818109
N,N-diethylacetamide;N,N-dimethylbutanamide;N,N-dimethylpropanamide
CID 157213260

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-N-methylbutanamide?
The IUPAC name of N-(dimethylcarbamoyl)-N-methylbutanamide (CID 178179553) is N-(dimethylcarbamoyl)-N-methylbutanamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-N-methylbutanamide?
The canonical SMILES for N-(dimethylcarbamoyl)-N-methylbutanamide is CCCC(=O)N(C)C(=O)N(C)C.
What is the InChIKey of N-(dimethylcarbamoyl)-N-methylbutanamide?
The InChIKey is PVJLSUQKZDTLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-6-7(11)10(4)8(12)9(2)3/h5-6H2,1-4H3.
What are the key properties of N-(dimethylcarbamoyl)-N-methylbutanamide?
N-(dimethylcarbamoyl)-N-methylbutanamide has a molecular weight of 172.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-N-methylbutanamide is sourced from PubChem (CID 178179553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).