2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide

C10H18N2O2 — CID 114291419

IUPAC2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)CC(C)O
InChIInChI=1S/C10H18N2O2/c1-5-10(3,7-11)9(14)12(4)6-8(2)13/h8,13H,5-6H2,1-4H3
InChIKeyGIPMQXQECJXJTJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.77
Rot. Bonds4

About 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide

2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide (PubChem CID 114291419) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
PubChem CID114291419
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)CC(C)O
InChIInChI=1S/C10H18N2O2/c1-5-10(3,7-11)9(14)12(4)6-8(2)13/h8,13H,5-6H2,1-4H3
InChIKeyGIPMQXQECJXJTJ-UHFFFAOYSA-N
XLogP0.77
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-cyano-2-methylbutanoyl)-methylamino]-2-methylpropanoate
CID 114291326
2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 114291307
2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
CID 114291087
2-cyano-N-[(4-fluorophenyl)methyl]-N,2-dimethylbutanamide
CID 114291206
2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide
CID 114291675
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
N-[1-(3-chlorophenyl)ethyl]-2-cyano-N,2-dimethylbutanamide
CID 114291470
2-cyano-N-[(3-cyanophenyl)methyl]-N,2-dimethylbutanamide
CID 114291466
2-cyano-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 114291471
2-cyano-N-(2-hydroxypropyl)-N-methylpropanamide
CID 62335459
2-cyano-2-ethyl-N-methyl-N-(3-methylbutyl)butanamide
CID 55208122
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide (CID 114291419) is 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide is CCC(C)(C#N)C(=O)N(C)CC(C)O.
What is the InChIKey of 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide?
The InChIKey is GIPMQXQECJXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-10(3,7-11)9(14)12(4)6-8(2)13/h8,13H,5-6H2,1-4H3.
What are the key properties of 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide?
2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 114291419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).