2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane

C16H33N3O3 — CID 145117042

IUPAC2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
SMILESCC.CCCC(=O)N(C)C(CC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C14H27N3O3.C2H6/c1-6-7-13(19)17(5)12(10-11(2)18)14(20)15-8-9-16(3)4;1-2/h12H,6-10H2,1-5H3,(H,15,20);1-2H3
InChIKeyKWFUTVWWUTVCLJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.30
Rot. Bonds9

About 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane

2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane (PubChem CID 145117042) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane.

Molecular Properties

Compound Name2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
PubChem CID145117042
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Name2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
SMILESCC.CCCC(=O)N(C)C(CC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C14H27N3O3.C2H6/c1-6-7-13(19)17(5)12(10-11(2)18)14(20)15-8-9-16(3)4;1-2/h12H,6-10H2,1-5H3,(H,15,20);1-2H3
InChIKeyKWFUTVWWUTVCLJ-UHFFFAOYSA-N
XLogP1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218970
N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide
CID 159896807
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130219383
N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide
CID 171836170
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218836
N-[1-[2-(dimethylamino)ethylamino]-1,4-dioxopentan-2-yl]-6-(2,5-dioxopyrrolidin-3-yl)sulfanyl-N-methylhexanamide
CID 147189988
N-[2-(dimethylamino)ethyl]-2-[3,3-dimethylbutanoyl(methyl)amino]-6,6-dimethyl-4-oxoheptanamide
CID 177080660
N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
CID 169077280
N-[2-(dimethylamino)ethyl]-2-[3,3-dimethylbutanoyl(methyl)amino]-5-iodo-5-methyl-4-oxohexanamide
CID 146233320
N-[1-(2-aminoethylamino)-1,4-dioxopentan-2-yl]-N-methyl-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylhexanamide;ethane
CID 145348726
(2S)-N-[2-(dimethylamino)ethyl]-2-[2,2-dimethylpropanoyl(methyl)amino]-5-methyl-4-oxohexanamide
CID 137392087

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane?
The IUPAC name of 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane (CID 145117042) is 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane.
What is the SMILES notation for 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane?
The canonical SMILES for 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane is CC.CCCC(=O)N(C)C(CC(C)=O)C(=O)NCCN(C)C.
What is the InChIKey of 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane?
The InChIKey is KWFUTVWWUTVCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3.C2H6/c1-6-7-13(19)17(5)12(10-11(2)18)14(20)15-8-9-16(3)4;1-2/h12H,6-10H2,1-5H3,(H,15,20);1-2H3.
What are the key properties of 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane?
2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane has a molecular weight of 315.46 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane is sourced from PubChem (CID 145117042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).