N-butyl-N-methyl-2-oxopropanamide;ethane

C10H21NO2 — CID 142836775

IUPACN-butyl-N-methyl-2-oxopropanamide;ethane
SMILESCC.CCCCN(C)C(=O)C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-4-5-6-9(3)8(11)7(2)10;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyFVEOBJIASDAAPG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.86
Rot. Bonds4

About N-butyl-N-methyl-2-oxopropanamide;ethane

N-butyl-N-methyl-2-oxopropanamide;ethane (PubChem CID 142836775) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-butyl-N-methyl-2-oxopropanamide;ethane.

Molecular Properties

Compound NameN-butyl-N-methyl-2-oxopropanamide;ethane
PubChem CID142836775
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-butyl-N-methyl-2-oxopropanamide;ethane
SMILESCC.CCCCN(C)C(=O)C(C)=O
InChIInChI=1S/C8H15NO2.C2H6/c1-4-5-6-9(3)8(11)7(2)10;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyFVEOBJIASDAAPG-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methylacetamide;ethane
CID 142088805
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
ethane;N-methyl-N-octylacetamide
CID 142531459
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-butyl-N-methylcarbamate
CID 23071400
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
N-decyl-N-methylacetamide
CID 22114742
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
N-butyl-N,2-dimethylpropanamide
CID 21413636
amino N-butyl-N-methylcarbamate
CID 143838747
1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
CID 90395287
2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid
CID 173031673

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-oxopropanamide;ethane?
The IUPAC name of N-butyl-N-methyl-2-oxopropanamide;ethane (CID 142836775) is N-butyl-N-methyl-2-oxopropanamide;ethane.
What is the SMILES notation for N-butyl-N-methyl-2-oxopropanamide;ethane?
The canonical SMILES for N-butyl-N-methyl-2-oxopropanamide;ethane is CC.CCCCN(C)C(=O)C(C)=O.
What is the InChIKey of N-butyl-N-methyl-2-oxopropanamide;ethane?
The InChIKey is FVEOBJIASDAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-4-5-6-9(3)8(11)7(2)10;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of N-butyl-N-methyl-2-oxopropanamide;ethane?
N-butyl-N-methyl-2-oxopropanamide;ethane has a molecular weight of 187.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-oxopropanamide;ethane is sourced from PubChem (CID 142836775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).