N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide

C15H17N3O2 — CID 107658067

IUPACN-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide
SMILESCc1ccc(C#N)cc1OCCC(=O)N(C)CCC#N
InChIInChI=1S/C15H17N3O2/c1-12-4-5-13(11-17)10-14(12)20-9-6-15(19)18(2)8-3-7-16/h4-5,10H,3,6,8-9H2,1-2H3
InChIKeySYVUQLPSMDWSSO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.01
Rot. Bonds6

About N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide

N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide (PubChem CID 107658067) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide
PubChem CID107658067
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide
SMILESCc1ccc(C#N)cc1OCCC(=O)N(C)CCC#N
InChIInChI=1S/C15H17N3O2/c1-12-4-5-13(11-17)10-14(12)20-9-6-15(19)18(2)8-3-7-16/h4-5,10H,3,6,8-9H2,1-2H3
InChIKeySYVUQLPSMDWSSO-UHFFFAOYSA-N
XLogP2.01
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762
4-(5-cyano-2-methylphenoxy)butanoic acid
CID 107654879
4-methyl-3-(3-methylbut-3-enoxy)benzonitrile
CID 104922613
N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide
CID 107664858
N-(2-cyanoethyl)-3-(3,4-dimethylphenyl)sulfanyl-N-methylpropanamide
CID 43214065
N-(2-cyanoethyl)-N-methyl-3-(4-methylsulfonylphenoxy)propanamide
CID 43806975
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
N'-(2-cyanoethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]-N'-phenylbutanediamide
CID 56577605
3-(4-bromo-3-fluorophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 65203657

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide (CID 107658067) is N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide is Cc1ccc(C#N)cc1OCCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide?
The InChIKey is SYVUQLPSMDWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-4-5-13(11-17)10-14(12)20-9-6-15(19)18(2)8-3-7-16/h4-5,10H,3,6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 107658067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).