N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide

C13H25N3O — CID 62837091

IUPACN-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
SMILESCCNC(C)CC(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-15-12(4)9-13(17)16(8-6-7-14)10-11(2)3/h11-12,15H,5-6,8-10H2,1-4H3
InChIKeyKPHNKLYAGUZWGM-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.77
Rot. Bonds8

About N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide

N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide (PubChem CID 62837091) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
PubChem CID62837091
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
SMILESCCNC(C)CC(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-15-12(4)9-13(17)16(8-6-7-14)10-11(2)3/h11-12,15H,5-6,8-10H2,1-4H3
InChIKeyKPHNKLYAGUZWGM-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
CID 55138018
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
4-[2-cyanoethyl(2-methylpropyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 60950314
5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
CID 60948839
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959
3-[[2-cyanoethyl(2-methylpropyl)carbamoyl]-ethylamino]butanoic acid
CID 62826095
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
CID 60954185

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide (CID 62837091) is N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide is CCNC(C)CC(=O)N(CCC#N)CC(C)C.
What is the InChIKey of N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
The InChIKey is KPHNKLYAGUZWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-15-12(4)9-13(17)16(8-6-7-14)10-11(2)3/h11-12,15H,5-6,8-10H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide has a molecular weight of 239.36 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 62837091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).