2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide

C10H18N2O3 — CID 144519376

IUPAC2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide
SMILESCC(C)CC(C=O)NCC(=O)NCC=O
InChIInChI=1S/C10H18N2O3/c1-8(2)5-9(7-14)12-6-10(15)11-3-4-13/h4,7-9,12H,3,5-6H2,1-2H3,(H,11,15)
InChIKeyJHBOYZBJHIIGPV-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.50
Rot. Bonds8

About 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide

2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide (PubChem CID 144519376) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide
PubChem CID144519376
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide
SMILESCC(C)CC(C=O)NCC(=O)NCC=O
InChIInChI=1S/C10H18N2O3/c1-8(2)5-9(7-14)12-6-10(15)11-3-4-13/h4,7-9,12H,3,5-6H2,1-2H3,(H,11,15)
InChIKeyJHBOYZBJHIIGPV-UHFFFAOYSA-N
XLogP-0.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypropylamino)-N-(2-oxoethyl)acetamide
CID 156750692
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
4-amino-N-(2-oxoethyl)pentanamide
CID 143686044
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
CID 91405753
2-amino-N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]acetamide
CID 122707091
2-[(2-chloroacetyl)amino]-N-(2-oxoethyl)acetamide
CID 173312497
1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
3-[(4-methyl-1-oxopentan-2-yl)amino]propylphosphonic acid
CID 57094425
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide?
The IUPAC name of 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide (CID 144519376) is 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide is CC(C)CC(C=O)NCC(=O)NCC=O.
What is the InChIKey of 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide?
The InChIKey is JHBOYZBJHIIGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(2)5-9(7-14)12-6-10(15)11-3-4-13/h4,7-9,12H,3,5-6H2,1-2H3,(H,11,15).
What are the key properties of 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide?
2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide has a molecular weight of 214.26 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1-oxopentan-2-yl)amino]-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 144519376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).