N-butyl-N-methylacetamide;ethane

C9H21NO — CID 142088805

IUPACN-butyl-N-methylacetamide;ethane
SMILESCC.CCCCN(C)C(C)=O
InChIInChI=1S/C7H15NO.C2H6/c1-4-5-6-8(3)7(2)9;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyRYUSJBYQUSZYRV-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.29
Rot. Bonds3

About N-butyl-N-methylacetamide;ethane

N-butyl-N-methylacetamide;ethane (PubChem CID 142088805) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-butyl-N-methylacetamide;ethane.

Molecular Properties

Compound NameN-butyl-N-methylacetamide;ethane
PubChem CID142088805
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-butyl-N-methylacetamide;ethane
SMILESCC.CCCCN(C)C(C)=O
InChIInChI=1S/C7H15NO.C2H6/c1-4-5-6-8(3)7(2)9;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyRYUSJBYQUSZYRV-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butyl-N-methylacetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-methyl-N-octylacetamide
CID 142531459
N-decyl-N-methylacetamide
CID 22114742
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
CID 168941081
N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane
CID 167519800
N-(2-butoxyethyl)-N-methylacetamide
CID 155404672
N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
CID 10714096
N-butyl-N-methylcarbamate
CID 23071400
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylacetamide;ethane?
The IUPAC name of N-butyl-N-methylacetamide;ethane (CID 142088805) is N-butyl-N-methylacetamide;ethane.
What is the SMILES notation for N-butyl-N-methylacetamide;ethane?
The canonical SMILES for N-butyl-N-methylacetamide;ethane is CC.CCCCN(C)C(C)=O.
What is the InChIKey of N-butyl-N-methylacetamide;ethane?
The InChIKey is RYUSJBYQUSZYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-4-5-6-8(3)7(2)9;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of N-butyl-N-methylacetamide;ethane?
N-butyl-N-methylacetamide;ethane has a molecular weight of 159.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylacetamide;ethane is sourced from PubChem (CID 142088805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).