bis(N-ethyl-N-methylpropanamide);pentan-3-one

C17H36N2O3 — CID 158092722

IUPACbis(N-ethyl-N-methylpropanamide);pentan-3-one
SMILESCCC(=O)CC.CCC(=O)N(C)CC.CCC(=O)N(C)CC
InChIInChI=1S/2C6H13NO.C5H10O/c2*1-4-6(8)7(3)5-2;1-3-5(6)4-2/h2*4-5H2,1-3H3;3-4H2,1-2H3
InChIKeyFOHMJTATPJJFTH-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.12
Rot. Bonds6

About bis(N-ethyl-N-methylpropanamide);pentan-3-one

bis(N-ethyl-N-methylpropanamide);pentan-3-one (PubChem CID 158092722) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is bis(N-ethyl-N-methylpropanamide);pentan-3-one.

Molecular Properties

Compound Namebis(N-ethyl-N-methylpropanamide);pentan-3-one
PubChem CID158092722
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC Namebis(N-ethyl-N-methylpropanamide);pentan-3-one
SMILESCCC(=O)CC.CCC(=O)N(C)CC.CCC(=O)N(C)CC
InChIInChI=1S/2C6H13NO.C5H10O/c2*1-4-6(8)7(3)5-2;1-3-5(6)4-2/h2*4-5H2,1-3H3;3-4H2,1-2H3
InChIKeyFOHMJTATPJJFTH-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(N-ethyl-N-methylpropanamide);pentan-3-one 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

N,N-dipropyl-2-oxopropanamide
CID 12401676
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-butyl-N-(3-oxobutyl)acetamide
CID 20768547
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
N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylacetamide
CID 54534060
N,N-bis(3-oxopentyl)propanamide
CID 59903181
N-butyl-N-(3-oxopentyl)propanamide
CID 59946218
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821
N-(2-oxopropyl)-N-propylpropanamide
CID 121265050
N,N-di(propan-2-yl)propanamide;N,N-dipropylpropanamide
CID 137497580

Frequently Asked Questions

What is the IUPAC name of bis(N-ethyl-N-methylpropanamide);pentan-3-one?
The IUPAC name of bis(N-ethyl-N-methylpropanamide);pentan-3-one (CID 158092722) is bis(N-ethyl-N-methylpropanamide);pentan-3-one.
What is the SMILES notation for bis(N-ethyl-N-methylpropanamide);pentan-3-one?
The canonical SMILES for bis(N-ethyl-N-methylpropanamide);pentan-3-one is CCC(=O)CC.CCC(=O)N(C)CC.CCC(=O)N(C)CC.
What is the InChIKey of bis(N-ethyl-N-methylpropanamide);pentan-3-one?
The InChIKey is FOHMJTATPJJFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO.C5H10O/c2*1-4-6(8)7(3)5-2;1-3-5(6)4-2/h2*4-5H2,1-3H3;3-4H2,1-2H3.
What are the key properties of bis(N-ethyl-N-methylpropanamide);pentan-3-one?
bis(N-ethyl-N-methylpropanamide);pentan-3-one has a molecular weight of 316.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-ethyl-N-methylpropanamide);pentan-3-one is sourced from PubChem (CID 158092722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).