3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide

C13H16N2O3 — CID 103567047

IUPAC3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide
SMILESCOc1cc(C#N)cc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H16N2O3/c1-15(2)13(16)4-5-18-12-7-10(9-14)6-11(8-12)17-3/h6-8H,4-5H2,1-3H3
InChIKeyYLSZGQASELBOOG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.42
Rot. Bonds5

About 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide

3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide (PubChem CID 103567047) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide
PubChem CID103567047
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide
SMILESCOc1cc(C#N)cc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H16N2O3/c1-15(2)13(16)4-5-18-12-7-10(9-14)6-11(8-12)17-3/h6-8H,4-5H2,1-3H3
InChIKeyYLSZGQASELBOOG-UHFFFAOYSA-N
XLogP1.42
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyano-5-methoxyphenoxy)propanoic acid
CID 103566186
ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
CID 103566190
3-methoxy-5-(3-methylbut-3-enoxy)benzonitrile
CID 103566906
3-(2-cyanoethoxy)-5-methoxybenzonitrile
CID 103566780
3-(6-hydroxyhexoxy)-5-methoxybenzonitrile
CID 103577964
2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide
CID 103568365
3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
CID 176703397
3-methoxy-5-[3-(methylamino)propoxy]benzonitrile
CID 103568078
3-methoxy-5-pent-4-ynoxybenzonitrile
CID 103567166
3-[(E)-but-2-enoxy]-5-methoxybenzonitrile
CID 103567035
3-methoxy-5-prop-2-enoxybenzonitrile
CID 103566833
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide (CID 103567047) is 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide is COc1cc(C#N)cc(OCCC(=O)N(C)C)c1.
What is the InChIKey of 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide?
The InChIKey is YLSZGQASELBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(2)13(16)4-5-18-12-7-10(9-14)6-11(8-12)17-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide?
3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 103567047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).