N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide

C13H23N3O3 — CID 130219370

IUPACN-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide
SMILESC=C(C)C(=O)N(C)C(CC(C)=O)C(=O)NCCNC
InChIInChI=1S/C13H23N3O3/c1-9(2)13(19)16(5)11(8-10(3)17)12(18)15-7-6-14-4/h11,14H,1,6-8H2,2-5H3,(H,15,18)
InChIKeyUMQLNMCFTJGLDY-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.30
Rot. Bonds8

About N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide

N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide (PubChem CID 130219370) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide
PubChem CID130219370
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide
SMILESC=C(C)C(=O)N(C)C(CC(C)=O)C(=O)NCCNC
InChIInChI=1S/C13H23N3O3/c1-9(2)13(19)16(5)11(8-10(3)17)12(18)15-7-6-14-4/h11,14H,1,6-8H2,2-5H3,(H,15,18)
InChIKeyUMQLNMCFTJGLDY-UHFFFAOYSA-N
XLogP-0.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Dimethacryloyl piperazine
CID 22476841
(2S)-N-(2-aminoethyl)-2-(dimethylamino)-4-oxopentanamide
CID 134395700
N-[1-(2-aminoethylamino)-4-methyl-3-oxopent-4-en-2-yl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 23369122
(2S)-2-(2-methylprop-2-enoylamino)butanediamide
CID 53828190
(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 54413579
(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide
CID 54448541
(2S)-2-(2-methylprop-2-enoylamino)pentanediamide
CID 54561503
2-(2-Methylprop-2-enoylamino)pentanediamide
CID 76103757
4-Methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 76140004
(2S)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 87068828
(2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide
CID 87084235
(2R)-N-tert-butyl-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
CID 87228501

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide (CID 130219370) is N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide is C=C(C)C(=O)N(C)C(CC(C)=O)C(=O)NCCNC.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide?
The InChIKey is UMQLNMCFTJGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)13(19)16(5)11(8-10(3)17)12(18)15-7-6-14-4/h11,14H,1,6-8H2,2-5H3,(H,15,18).
What are the key properties of N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide?
N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide has a molecular weight of 269.34 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-[methyl(2-methylprop-2-enoyl)amino]-4-oxopentanamide is sourced from PubChem (CID 130219370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).