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

C13H25N3O3 — CID 130219383

IUPAC2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCCCC(=O)NC(CC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C13H25N3O3/c1-5-6-12(18)15-11(9-10(2)17)13(19)14-7-8-16(3)4/h11H,5-9H2,1-4H3,(H,14,19)(H,15,18)
InChIKeyCUGWVLGQTMARLS-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.07
Rot. Bonds9

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

2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (PubChem CID 130219383) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.

Molecular Properties

Compound Name2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
PubChem CID130219383
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCCCC(=O)NC(CC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C13H25N3O3/c1-5-6-12(18)15-11(9-10(2)17)13(19)14-7-8-16(3)4/h11H,5-9H2,1-4H3,(H,14,19)(H,15,18)
InChIKeyCUGWVLGQTMARLS-UHFFFAOYSA-N
XLogP-0.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.07
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-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218836
2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
CID 145117042
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218970
tert-butyl N-[2-[[(2R)-4-amino-2-(octanoylamino)-4-oxobutanoyl]amino]ethyl]-N-methylcarbamate
CID 146381764
(2R)-N-[2-(dimethylamino)ethyl]-3-[[(2R)-3-[2-(dimethylamino)ethylamino]-3-oxo-2-(3-pyrrol-1-ylpropanoylamino)propyl]disulfanyl]-2-(3-pyrrol-1-ylpropanoylamino)propanamide
CID 101038483
2,4-bis(butanoylamino)-N-[2-[(2-chloroacetyl)amino]ethyl]butanamide
CID 123782066
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
2-(butanoylamino)butanedioic acid;zinc
CID 174973870
N,N'-bis[1-[3-(dimethylamino)propylamino]-1-oxo-3-sulfanylpropan-2-yl]propanediamide
CID 87759704

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The IUPAC name of 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (CID 130219383) is 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.
What is the SMILES notation for 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The canonical SMILES for 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is CCCC(=O)NC(CC(C)=O)C(=O)NCCN(C)C.
What is the InChIKey of 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The InChIKey is CUGWVLGQTMARLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-6-12(18)15-11(9-10(2)17)13(19)14-7-8-16(3)4/h11H,5-9H2,1-4H3,(H,14,19)(H,15,18).
What are the key properties of 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide has a molecular weight of 271.36 g/mol, XLogP of -0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is sourced from PubChem (CID 130219383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).