N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide

C10H17N3O2 — CID 55207876

IUPACN-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCCC(N)=O
InChIInChI=1S/C10H17N3O2/c1-3-10(4-2,7-11)9(15)13-6-5-8(12)14/h3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIMEFNNMCYGHCFU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.31
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide

N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide (PubChem CID 55207876) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
PubChem CID55207876
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCCC(N)=O
InChIInChI=1S/C10H17N3O2/c1-3-10(4-2,7-11)9(15)13-6-5-8(12)14/h3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIMEFNNMCYGHCFU-UHFFFAOYSA-N
XLogP0.31
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-cyano-2-ethylbutanoyl)amino]butanoate
CID 64576196
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
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N-(3-amino-3-oxopropyl)-2,2-dimethylpentanamide
CID 130272228
2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461706
2-cyano-2-ethylbutanamide
CID 29227
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide
CID 114167359
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106417457
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896
2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
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ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
CID 55208240

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide (CID 55207876) is N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide is CCC(C#N)(CC)C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide?
The InChIKey is IMEFNNMCYGHCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-10(4-2,7-11)9(15)13-6-5-8(12)14/h3-6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide?
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide has a molecular weight of 211.26 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide is sourced from PubChem (CID 55207876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).