N-(2-cyano-4-methoxybutan-2-yl)acetamide

C8H14N2O2 — CID 166604136

IUPACN-(2-cyano-4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)(C#N)NC(C)=O
InChIInChI=1S/C8H14N2O2/c1-7(11)10-8(2,6-9)4-5-12-3/h4-5H2,1-3H3,(H,10,11)
InChIKeyFVUHTMOULBNVFP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.44
Rot. Bonds4

About N-(2-cyano-4-methoxybutan-2-yl)acetamide

N-(2-cyano-4-methoxybutan-2-yl)acetamide (PubChem CID 166604136) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(2-cyano-4-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-4-methoxybutan-2-yl)acetamide
PubChem CID166604136
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(2-cyano-4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)(C#N)NC(C)=O
InChIInChI=1S/C8H14N2O2/c1-7(11)10-8(2,6-9)4-5-12-3/h4-5H2,1-3H3,(H,10,11)
InChIKeyFVUHTMOULBNVFP-UHFFFAOYSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-cyano-1,5-dimethoxypentan-3-yl)carbamate
CID 90052280
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
2-cyano-4-methoxy-2-(2-methoxyethyl)butanoic acid;methyl 2-cyano-4-methoxy-2-(2-methoxyethyl)butanoate
CID 161483435
2-bromo-4-methoxy-2-methylbutanenitrile
CID 83090478
2,4-dimethoxy-2-methylbutanenitrile
CID 66072771
2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol
CID 121434520
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate
CID 11587543
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103179755

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-methoxybutan-2-yl)acetamide?
The IUPAC name of N-(2-cyano-4-methoxybutan-2-yl)acetamide (CID 166604136) is N-(2-cyano-4-methoxybutan-2-yl)acetamide.
What is the SMILES notation for N-(2-cyano-4-methoxybutan-2-yl)acetamide?
The canonical SMILES for N-(2-cyano-4-methoxybutan-2-yl)acetamide is COCCC(C)(C#N)NC(C)=O.
What is the InChIKey of N-(2-cyano-4-methoxybutan-2-yl)acetamide?
The InChIKey is FVUHTMOULBNVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(11)10-8(2,6-9)4-5-12-3/h4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(2-cyano-4-methoxybutan-2-yl)acetamide?
N-(2-cyano-4-methoxybutan-2-yl)acetamide has a molecular weight of 170.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 166604136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).