2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide

C11H21N3O3 — CID 130218836

IUPAC2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CC(NC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C11H21N3O3/c1-8(15)7-10(13-9(2)16)11(17)12-5-6-14(3)4/h10H,5-7H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyNPVXOABCALEAJZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.85
Rot. Bonds7

About 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide

2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (PubChem CID 130218836) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
PubChem CID130218836
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CC(NC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C11H21N3O3/c1-8(15)7-10(13-9(2)16)11(17)12-5-6-14(3)4/h10H,5-7H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyNPVXOABCALEAJZ-UHFFFAOYSA-N
XLogP-0.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
CID 169077280
2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130219383
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218970
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
CID 145117042
2-acetamido-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 4282411
2-acetamido-N,N'-bis[3-(dimethylamino)propyl]propanediamide
CID 91693980
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
N-[2-(dimethylamino)ethyl]-2-[3,3-dimethylbutanoyl(methyl)amino]-6,6-dimethyl-4-oxoheptanamide
CID 177080660
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770
N-[2-(dimethylamino)ethyl]-2-[3,3-dimethylbutanoyl(methyl)amino]-5-iodo-5-methyl-4-oxohexanamide
CID 146233320

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The IUPAC name of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (CID 130218836) is 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.
What is the SMILES notation for 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The canonical SMILES for 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is CC(=O)CC(NC(C)=O)C(=O)NCCN(C)C.
What is the InChIKey of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The InChIKey is NPVXOABCALEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(15)7-10(13-9(2)16)11(17)12-5-6-14(3)4/h10H,5-7H2,1-4H3,(H,12,17)(H,13,16).
What are the key properties of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide has a molecular weight of 243.31 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is sourced from PubChem (CID 130218836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).