N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide

C12H22N2O — CID 60659898

IUPACN-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-10(2)9-14(8-6-7-13)11(15)12(3,4)5/h10H,6,8-9H2,1-5H3
InChIKeyFQEFHQGIWVORIJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.43
Rot. Bonds4

About N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide

N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide (PubChem CID 60659898) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
PubChem CID60659898
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)C(C)(C)C
InChIInChI=1S/C12H22N2O/c1-10(2)9-14(8-6-7-13)11(15)12(3,4)5/h10H,6,8-9H2,1-5H3
InChIKeyFQEFHQGIWVORIJ-UHFFFAOYSA-N
XLogP2.43
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79804815
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 103929355
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62821344
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959
N-(iodomethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 130443735
4-[2-cyanoethyl(2-methylpropyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 60950314
(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 78974760
5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
CID 60948839

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide (CID 60659898) is N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide is CC(C)CN(CCC#N)C(=O)C(C)(C)C.
What is the InChIKey of N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The InChIKey is FQEFHQGIWVORIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)9-14(8-6-7-13)11(15)12(3,4)5/h10H,6,8-9H2,1-5H3.
What are the key properties of N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide?
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide has a molecular weight of 210.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 60659898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).