3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide

C15H20N2O2 — CID 115173936

IUPAC3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
SMILESCOc1cc(C)c(C)cc1CCNC(=O)CCC#N
InChIInChI=1S/C15H20N2O2/c1-11-9-13(14(19-3)10-12(11)2)6-8-17-15(18)5-4-7-16/h9-10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyIOQUZQZYLYUSPX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.27
Rot. Bonds6

About 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide

3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide (PubChem CID 115173936) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
PubChem CID115173936
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
SMILESCOc1cc(C)c(C)cc1CCNC(=O)CCC#N
InChIInChI=1S/C15H20N2O2/c1-11-9-13(14(19-3)10-12(11)2)6-8-17-15(18)5-4-7-16/h9-10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyIOQUZQZYLYUSPX-UHFFFAOYSA-N
XLogP2.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
2-cyano-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115173278
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
CID 94685245
3-[2-(2-methoxy-4,5-dimethylphenyl)ethyl-methylamino]propanenitrile
CID 115231209

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide (CID 115173936) is 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide is COc1cc(C)c(C)cc1CCNC(=O)CCC#N.
What is the InChIKey of 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide?
The InChIKey is IOQUZQZYLYUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-9-13(14(19-3)10-12(11)2)6-8-17-15(18)5-4-7-16/h9-10H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide?
3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 115173936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).