2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide

C13H24N2O — CID 79470838

IUPAC2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide
SMILESCCCC(C#N)C(=O)N(CC)CC(C)CC
InChIInChI=1S/C13H24N2O/c1-5-8-12(9-14)13(16)15(7-3)10-11(4)6-2/h11-12H,5-8,10H2,1-4H3
InChIKeyJASVUQQXADJTBJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.82
Rot. Bonds7

About 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide

2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide (PubChem CID 79470838) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide
PubChem CID79470838
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide
SMILESCCCC(C#N)C(=O)N(CC)CC(C)CC
InChIInChI=1S/C13H24N2O/c1-5-8-12(9-14)13(16)15(7-3)10-11(4)6-2/h11-12H,5-8,10H2,1-4H3
InChIKeyJASVUQQXADJTBJ-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915450
2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
CID 82938971
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
CID 107144573
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 107567246
methyl 2-cyanopentaneperoxoate
CID 21263469
2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
CID 107860521
3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide
CID 79469921
2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide
CID 82136881
2-cyano-4-(2,5-dimethylphenoxy)-N,N-diethylbutanamide
CID 82136859

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide?
The IUPAC name of 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide (CID 79470838) is 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide is CCCC(C#N)C(=O)N(CC)CC(C)CC.
What is the InChIKey of 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide?
The InChIKey is JASVUQQXADJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-8-12(9-14)13(16)15(7-3)10-11(4)6-2/h11-12H,5-8,10H2,1-4H3.
What are the key properties of 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide?
2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide has a molecular weight of 224.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide is sourced from PubChem (CID 79470838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).