2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide

C11H20N2O3 — CID 114291307

IUPAC2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)CC(O)COC
InChIInChI=1S/C11H20N2O3/c1-5-11(2,8-12)10(15)13(3)6-9(14)7-16-4/h9,14H,5-7H2,1-4H3
InChIKeyBNCTYMDYWPYVOI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.39
Rot. Bonds6

About 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide

2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide (PubChem CID 114291307) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
PubChem CID114291307
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)CC(O)COC
InChIInChI=1S/C11H20N2O3/c1-5-11(2,8-12)10(15)13(3)6-9(14)7-16-4/h9,14H,5-7H2,1-4H3
InChIKeyBNCTYMDYWPYVOI-UHFFFAOYSA-N
XLogP0.39
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-hydroxypropyl)-N,2-dimethylbutanamide
CID 114291419
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651
methyl 3-[(2-cyano-2-methylbutanoyl)-methylamino]-2-methylpropanoate
CID 114291326
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
CID 103310159
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
N-(2-amino-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63754024
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 64678232
N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
N-(2-hydroxy-3-methoxypropyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83200036
2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
CID 114291087

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide (CID 114291307) is 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide is CCC(C)(C#N)C(=O)N(C)CC(O)COC.
What is the InChIKey of 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide?
The InChIKey is BNCTYMDYWPYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-11(2,8-12)10(15)13(3)6-9(14)7-16-4/h9,14H,5-7H2,1-4H3.
What are the key properties of 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide?
2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide has a molecular weight of 228.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 114291307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).