2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide

C12H23N3O3 — CID 130218970

IUPAC2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CC(C(=O)NCCN(C)C)N(C)C(C)=O
InChIInChI=1S/C12H23N3O3/c1-9(16)8-11(15(5)10(2)17)12(18)13-6-7-14(3)4/h11H,6-8H2,1-5H3,(H,13,18)
InChIKeyIZYAWPKVDRNZAT-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.51
Rot. Bonds7

About 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide

2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (PubChem CID 130218970) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
PubChem CID130218970
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CC(C(=O)NCCN(C)C)N(C)C(C)=O
InChIInChI=1S/C12H23N3O3/c1-9(16)8-11(15(5)10(2)17)12(18)13-6-7-14(3)4/h11H,6-8H2,1-5H3,(H,13,18)
InChIKeyIZYAWPKVDRNZAT-UHFFFAOYSA-N
XLogP-0.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
CID 145117042
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218836
N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
CID 169077280
(2S)-N-[2-(dimethylamino)ethyl]-2-[2,2-dimethylpropanoyl(methyl)amino]-5-methyl-4-oxohexanamide
CID 137392087
N-[2-(dimethylamino)ethyl]-2-[3,3-dimethylbutanoyl(methyl)amino]-6,6-dimethyl-4-oxoheptanamide
CID 177080660
(2S)-N-[2-(dimethylamino)ethyl]-2-[2,2-dimethylpropanoyl(methyl)amino]-5-iodo-5-methyl-4-oxohexanamide
CID 146233349
(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide
CID 130218949
N-[2-(dimethylamino)ethyl]-5,5-dimethyl-2-[methyl(prop-2-enoyl)amino]-4-oxohexanamide
CID 163637870
2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130219383
N-[2-(dimethylamino)ethyl]-2-[3,3-dimethylbutanoyl(methyl)amino]-5-iodo-5-methyl-4-oxohexanamide
CID 146233320
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (CID 130218970) is 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is CC(=O)CC(C(=O)NCCN(C)C)N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The InChIKey is IZYAWPKVDRNZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(16)8-11(15(5)10(2)17)12(18)13-6-7-14(3)4/h11H,6-8H2,1-5H3,(H,13,18).
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide has a molecular weight of 257.33 g/mol, XLogP of -0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is sourced from PubChem (CID 130218970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).