3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide

C12H20N2O4 — CID 91024658

IUPAC3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide
SMILESCC(=O)CNC(=O)CNC(=O)C(=O)C(C)C(C)C
InChIInChI=1S/C12H20N2O4/c1-7(2)9(4)11(17)12(18)14-6-10(16)13-5-8(3)15/h7,9H,5-6H2,1-4H3,(H,13,16)(H,14,18)
InChIKeyRBPLTZDJCYAJLR-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.33
Rot. Bonds7

About 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide

3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide (PubChem CID 91024658) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide.

Molecular Properties

Compound Name3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide
PubChem CID91024658
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide
SMILESCC(=O)CNC(=O)CNC(=O)C(=O)C(C)C(C)C
InChIInChI=1S/C12H20N2O4/c1-7(2)9(4)11(17)12(18)14-6-10(16)13-5-8(3)15/h7,9H,5-6H2,1-4H3,(H,13,16)(H,14,18)
InChIKeyRBPLTZDJCYAJLR-UHFFFAOYSA-N
XLogP-0.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
N-(2-oxopropyl)propanamide
CID 23550155
2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide
CID 89028843
2-fluoro-N-(2-oxopropyl)acetamide
CID 171093326
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
CID 168928235
2-methylsulfonyl-N-(2-oxopropyl)acetamide
CID 64996729
N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
CID 21339517
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715
2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 91212468
4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide
CID 164982954
dimethyl 2-[[2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 46833858

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide?
The IUPAC name of 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide (CID 91024658) is 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide.
What is the SMILES notation for 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide?
The canonical SMILES for 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide is CC(=O)CNC(=O)CNC(=O)C(=O)C(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide?
The InChIKey is RBPLTZDJCYAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)9(4)11(17)12(18)14-6-10(16)13-5-8(3)15/h7,9H,5-6H2,1-4H3,(H,13,16)(H,14,18).
What are the key properties of 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide?
3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide has a molecular weight of 256.30 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-oxo-N-[2-oxo-2-(2-oxopropylamino)ethyl]pentanamide is sourced from PubChem (CID 91024658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).