2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide

C13H23N3O2 — CID 114167359

IUPAC2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C13H23N3O2/c1-6-13(7-2,8-14)11(18)16-9-12(3,4)10(17)15-5/h6-7,9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeySPPBSWALOPMZPR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.20
Rot. Bonds6

About 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide

2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide (PubChem CID 114167359) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide
PubChem CID114167359
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C13H23N3O2/c1-6-13(7-2,8-14)11(18)16-9-12(3,4)10(17)15-5/h6-7,9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeySPPBSWALOPMZPR-UHFFFAOYSA-N
XLogP1.20
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461706
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
CID 55207876
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
CID 106842209
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103824126
2-cyano-2-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 113406233
ethyl 4-[(2-cyano-2-ethylbutanoyl)amino]butanoate
CID 64576196
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 114167670
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
CID 113278352

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide?
The IUPAC name of 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide (CID 114167359) is 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide?
The canonical SMILES for 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide is CCC(C#N)(CC)C(=O)NCC(C)(C)C(=O)NC.
What is the InChIKey of 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide?
The InChIKey is SPPBSWALOPMZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-13(7-2,8-14)11(18)16-9-12(3,4)10(17)15-5/h6-7,9H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide?
2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide has a molecular weight of 253.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide is sourced from PubChem (CID 114167359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).