N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide

C12H23N3O3 — CID 169077280

IUPACN-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
SMILESCCC(=O)NC(CC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C12H23N3O3/c1-5-11(17)14-10(8-9(2)16)12(18)13-6-7-15(3)4/h10H,5-8H2,1-4H3,(H,13,18)(H,14,17)
InChIKeyXZGQMJHBSUEIMD-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.46
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide

N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide (PubChem CID 169077280) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
PubChem CID169077280
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide
SMILESCCC(=O)NC(CC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C12H23N3O3/c1-5-11(17)14-10(8-9(2)16)12(18)13-6-7-15(3)4/h10H,5-8H2,1-4H3,(H,13,18)(H,14,17)
InChIKeyXZGQMJHBSUEIMD-UHFFFAOYSA-N
XLogP-0.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130219383
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218836
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218970
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
CID 145117042
N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane
CID 154679925
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
N,N'-bis[1-[3-(dimethylamino)propylamino]-1-oxo-3-sulfanylpropan-2-yl]propanediamide
CID 87759704
(4R)-5-(2-aminoethylamino)-5-oxo-4-(propanoylamino)pentanoic acid;ethane
CID 145215889
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]propanamide
CID 113053508
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide
CID 112991411
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide (CID 169077280) is N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide is CCC(=O)NC(CC(C)=O)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide?
The InChIKey is XZGQMJHBSUEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-11(17)14-10(8-9(2)16)12(18)13-6-7-15(3)4/h10H,5-8H2,1-4H3,(H,13,18)(H,14,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide?
N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide has a molecular weight of 257.33 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-oxo-2-(propanoylamino)pentanamide is sourced from PubChem (CID 169077280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).