2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide

C13H23N3O2 — CID 103110179

IUPAC2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
SMILESCCN(C)C(=O)C(C)NC(=O)C(C#N)(CC)CC
InChIInChI=1S/C13H23N3O2/c1-6-13(7-2,9-14)12(18)15-10(4)11(17)16(5)8-3/h10H,6-8H2,1-5H3,(H,15,18)
InChIKeyQNXAJHIAJXAAEO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.30
Rot. Bonds6

About 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide

2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide (PubChem CID 103110179) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
PubChem CID103110179
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
SMILESCCN(C)C(=O)C(C)NC(=O)C(C#N)(CC)CC
InChIInChI=1S/C13H23N3O2/c1-6-13(7-2,9-14)12(18)15-10(4)11(17)16(5)8-3/h10H,6-8H2,1-5H3,(H,15,18)
InChIKeyQNXAJHIAJXAAEO-UHFFFAOYSA-N
XLogP1.30
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

FE-999011
CID 10130510
(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
CID 10130367
(2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutanamide
CID 23645883
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide
CID 23645888
1-[2-(3,3-Dimethyl-butylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 9903629
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
(2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylbutanamide
CID 23645884
(2S)-2-amino-N-[(1R)-1-cyanoethyl]-N,3,3-trimethylbutanamide
CID 23645889
1-(3-Methyl-2-methylamino-butyryl)-pyrrolidine-2-carbonitrile
CID 11020125
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 70681470
1-(2-Amino-3,3-dimethylbutanoyl)pyrrolidine-2-carbonitrile
CID 21938411
2-acetamido-N,3,3-trimethylbutanamide
CID 3814733

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide (CID 103110179) is 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide is CCN(C)C(=O)C(C)NC(=O)C(C#N)(CC)CC.
What is the InChIKey of 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
The InChIKey is QNXAJHIAJXAAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-13(7-2,9-14)12(18)15-10(4)11(17)16(5)8-3/h10H,6-8H2,1-5H3,(H,15,18).
What are the key properties of 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide?
2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide has a molecular weight of 253.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 103110179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).