2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide

C9H16N2O3 — CID 21334807

IUPAC2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide
SMILESCCNC(=O)C(C(C)=O)N(C)C(C)=O
InChIInChI=1S/C9H16N2O3/c1-5-10-9(14)8(6(2)12)11(4)7(3)13/h8H,5H2,1-4H3,(H,10,14)
InChIKeyUWJNSYQUJYRMRY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.44
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide

2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide (PubChem CID 21334807) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide
PubChem CID21334807
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide
SMILESCCNC(=O)C(C(C)=O)N(C)C(C)=O
InChIInChI=1S/C9H16N2O3/c1-5-10-9(14)8(6(2)12)11(4)7(3)13/h8H,5H2,1-4H3,(H,10,14)
InChIKeyUWJNSYQUJYRMRY-UHFFFAOYSA-N
XLogP-0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide
CID 88791984
2-amino-N,N'-diethylpropanediamide
CID 88901749
2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
CID 63225487
N-ethyl-2-methylsulfanyl-4-oxopentanamide
CID 148645996
ethane;N-ethyl-2-methylbutanamide
CID 145471862
(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
CID 139691176
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-ethyl-3-(methylamino)propanamide
CID 89258842
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
2-amino-N-ethyl-4-oxobutanamide
CID 143988292

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide (CID 21334807) is 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide is CCNC(=O)C(C(C)=O)N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide?
The InChIKey is UWJNSYQUJYRMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5-10-9(14)8(6(2)12)11(4)7(3)13/h8H,5H2,1-4H3,(H,10,14).
What are the key properties of 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide?
2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide has a molecular weight of 200.24 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide is sourced from PubChem (CID 21334807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).