butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide

C17H41N3O2 — CID 159983542

IUPACbutan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide
SMILESCCC(C)=O.CCN(C)C.CCN(C)C.CCN(C)C(C)=O
InChIInChI=1S/C5H11NO.2C4H11N.C4H8O/c1-4-6(3)5(2)7;2*1-4-5(2)3;1-3-4(2)5/h4H2,1-3H3;2*4H2,1-3H3;3H2,1-2H3
InChIKeyOGAULVWEXOUUAK-UHFFFAOYSA-N
MW319.53 g/mol
LogP2.61
Rot. Bonds4

About butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide

butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide (PubChem CID 159983542) has the molecular formula C17H41N3O2 and a molecular weight of 319.53 g/mol. Its IUPAC name is butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide.

Molecular Properties

Compound Namebutan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide
PubChem CID159983542
Molecular FormulaC17H41N3O2
Molecular Weight319.53 g/mol
Exact Mass319.32
IUPAC Namebutan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide
SMILESCCC(C)=O.CCN(C)C.CCN(C)C.CCN(C)C(C)=O
InChIInChI=1S/C5H11NO.2C4H11N.C4H8O/c1-4-6(3)5(2)7;2*1-4-5(2)3;1-3-4(2)5/h4H2,1-3H3;2*4H2,1-3H3;3H2,1-2H3
InChIKeyOGAULVWEXOUUAK-UHFFFAOYSA-N
XLogP2.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide 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

2-bis[2-(diethylamino)-2-oxoethyl]bismuthanyl-N,N-diethylacetamide
CID 13775342
Trimethyl-[3-[3-oxobutanoyl-[3-(trimethylazaniumyl)propyl]amino]propyl]azanium
CID 2313076
N,N-diethylbutanamide;N,N-dimethylpropanamide;N-ethyl-N-methylpropanamide
CID 18387019
N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)
CID 54129465
N-ethyl-N-methylacetamide;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylacetamide
CID 54328755
ethane;bis(N-ethyl-N-methylacetamide)
CID 54362232
N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylacetamide
CID 54534060
N,N-di(propan-2-yl)propanamide;N,N-dipropylpropanamide
CID 137497580
N,N-diethylacetamide;N,N-dimethylbutanamide;N,N-dimethylpropanamide
CID 157213260
N-butyl-N-methylacetamide;N-butyl-N-methylpropanamide
CID 157632439
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
cobalt;bis(N,N-di(propan-2-yl)propanamide)
CID 158115206

Frequently Asked Questions

What is the IUPAC name of butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide?
The IUPAC name of butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide (CID 159983542) is butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide.
What is the SMILES notation for butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide?
The canonical SMILES for butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide is CCC(C)=O.CCN(C)C.CCN(C)C.CCN(C)C(C)=O.
What is the InChIKey of butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide?
The InChIKey is OGAULVWEXOUUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.2C4H11N.C4H8O/c1-4-6(3)5(2)7;2*1-4-5(2)3;1-3-4(2)5/h4H2,1-3H3;2*4H2,1-3H3;3H2,1-2H3.
What are the key properties of butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide?
butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide has a molecular weight of 319.53 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide is sourced from PubChem (CID 159983542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).