N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide

C9H15N3O2 — CID 103102368

IUPACN-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide
SMILESCCN(CC(N)=O)C(=O)C(C)(C)C#N
InChIInChI=1S/C9H15N3O2/c1-4-12(5-7(11)13)8(14)9(2,3)6-10/h4-5H2,1-3H3,(H2,11,13)
InChIKeyIYBTWRMGDLMIMO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.13
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide

N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide (PubChem CID 103102368) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide
PubChem CID103102368
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide
SMILESCCN(CC(N)=O)C(=O)C(C)(C)C#N
InChIInChI=1S/C9H15N3O2/c1-4-12(5-7(11)13)8(14)9(2,3)6-10/h4-5H2,1-3H3,(H2,11,13)
InChIKeyIYBTWRMGDLMIMO-UHFFFAOYSA-N
XLogP-0.13
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 40140664
N-[2-(tert-butylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60717639
2-[2-cyanoethyl(2,2-dimethylpropyl)amino]-N-methylacetamide
CID 56794345
N-[2-[cyanomethyl(propan-2-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71853215
2-[Acetyl(2,2-dimethylpropyl)amino]acetamide
CID 18329568
2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 22718416
2-acetamido-N-(1-cyanoethyl)propanamide
CID 22951572
N-(2-amino-2-oxoethyl)-N,2-dimethylpropanamide
CID 22954151
N-(2-amino-2-oxoethyl)-N-methylpropanamide
CID 57998987
2-cyano-N-[3-[(2-isocyanoacetyl)-methylamino]propyl]acetamide
CID 58974102
2-acetamido-N-[(1S)-1-cyanoethyl]propanamide
CID 59878892
(2S)-2-acetamido-N-[(1S)-1-cyanoethyl]propanamide
CID 60070122

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide (CID 103102368) is N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide is CCN(CC(N)=O)C(=O)C(C)(C)C#N.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide?
The InChIKey is IYBTWRMGDLMIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-12(5-7(11)13)8(14)9(2,3)6-10/h4-5H2,1-3H3,(H2,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide?
N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide has a molecular weight of 197.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-cyano-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 103102368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).