N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide

C8H14N2O2 — CID 43289311

IUPACN-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)CCC#N
InChIInChI=1S/C8H14N2O2/c1-10(6-3-5-9)8(11)4-7-12-2/h3-4,6-7H2,1-2H3
InChIKeyRCTWUXFSBYOJLB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.39
Rot. Bonds5

About N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide

N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide (PubChem CID 43289311) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
PubChem CID43289311
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)CCC#N
InChIInChI=1S/C8H14N2O2/c1-10(6-3-5-9)8(11)4-7-12-2/h3-4,6-7H2,1-2H3
InChIKeyRCTWUXFSBYOJLB-UHFFFAOYSA-N
XLogP0.39
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-3-methoxy-N-methylpropanamide
CID 62590044
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
N-(2-cyanoethyl)-N-methyl-3-prop-2-enoxypropanamide
CID 43289803
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide
CID 43289728
N-(2-cyanoethyl)-2-(2-methoxyethylsulfonyl)-N-methylacetamide
CID 61210411
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81056168
methyl 3-[3-[2-cyanoethyl(methyl)amino]-3-oxopropyl]sulfonylpropanoate
CID 64689982
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide (CID 43289311) is N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide is COCCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide?
The InChIKey is RCTWUXFSBYOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-10(6-3-5-9)8(11)4-7-12-2/h3-4,6-7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide?
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide has a molecular weight of 170.21 g/mol, XLogP of 0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 43289311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).