N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide

C10H16N2O3 — CID 43579629

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C10H16N2O3/c1-7(13)5-10(15)12(2)6-9(14)11-8-3-4-8/h8H,3-6H2,1-2H3,(H,11,14)
InChIKeyLWUFSWYDXAJMOU-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.30
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide (PubChem CID 43579629) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
PubChem CID43579629
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C10H16N2O3/c1-7(13)5-10(15)12(2)6-9(14)11-8-3-4-8/h8H,3-6H2,1-2H3,(H,11,14)
InChIKeyLWUFSWYDXAJMOU-UHFFFAOYSA-N
XLogP-0.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.30
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

2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466279
2-[[2-(2-aminoethoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 79473534
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
CID 76944463
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
CID 112695476
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-piperazin-1-ylacetamide
CID 43162383
2-[[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 116653040

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide (CID 43579629) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide is CC(=O)CC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
The InChIKey is LWUFSWYDXAJMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(13)5-10(15)12(2)6-9(14)11-8-3-4-8/h8H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide has a molecular weight of 212.25 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide is sourced from PubChem (CID 43579629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).