N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide

C15H20N2O2 — CID 43243762

IUPACN-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
SMILESCc1ccc(OCCC(=O)N(C)CCC#N)cc1C
InChIInChI=1S/C15H20N2O2/c1-12-5-6-14(11-13(12)2)19-10-7-15(18)17(3)9-4-8-16/h5-6,11H,4,7,9-10H2,1-3H3
InChIKeyXSYPSAWGTFHVQY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds6

About N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide

N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide (PubChem CID 43243762) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
PubChem CID43243762
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
SMILESCc1ccc(OCCC(=O)N(C)CCC#N)cc1C
InChIInChI=1S/C15H20N2O2/c1-12-5-6-14(11-13(12)2)19-10-7-15(18)17(3)9-4-8-16/h5-6,11H,4,7,9-10H2,1-3H3
InChIKeyXSYPSAWGTFHVQY-UHFFFAOYSA-N
XLogP2.44
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-fluorophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 65203657
N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide
CID 107658067
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
N-(2-cyanoethyl)-3-(3,4-dimethylphenyl)sulfanyl-N-methylpropanamide
CID 43214065
N-(2-cyanoethyl)-N-methyl-3-(4-methylsulfonylphenoxy)propanamide
CID 43806975
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
CID 146277523
N-(2-cyanoethyl)-2-(3,4-dimethylphenyl)sulfanyl-N-methylacetamide
CID 43213482
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
N-(2-cyanoethyl)-3-(4-ethyl-2-methoxyphenoxy)-N-methylpropanamide
CID 107664858
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide (CID 43243762) is N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide is Cc1ccc(OCCC(=O)N(C)CCC#N)cc1C.
What is the InChIKey of N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide?
The InChIKey is XSYPSAWGTFHVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-5-6-14(11-13(12)2)19-10-7-15(18)17(3)9-4-8-16/h5-6,11H,4,7,9-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 43243762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).