3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide

C18H18N2O2 — CID 110787410

IUPAC3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C#N)c2)cc1C
InChIInChI=1S/C18H18N2O2/c1-13-10-14(6-7-17(13)22-2)8-9-20-18(21)16-5-3-4-15(11-16)12-19/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)
InChIKeyYDKRJQYYHLAXRY-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds5

About 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide

3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide (PubChem CID 110787410) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide
PubChem CID110787410
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C#N)c2)cc1C
InChIInChI=1S/C18H18N2O2/c1-13-10-14(6-7-17(13)22-2)8-9-20-18(21)16-5-3-4-15(11-16)12-19/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)
InChIKeyYDKRJQYYHLAXRY-UHFFFAOYSA-N
XLogP2.85
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)ethyl]-3-cyanobenzamide
CID 110787591
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795132
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791169
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055476
3-[4-[(4-methoxy-3-methylphenyl)methyl]piperazine-1-carbonyl]benzonitrile
CID 110399261
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
3-cyano-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613283
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide (CID 110787410) is 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cccc(C#N)c2)cc1C.
What is the InChIKey of 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide?
The InChIKey is YDKRJQYYHLAXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-10-14(6-7-17(13)22-2)8-9-20-18(21)16-5-3-4-15(11-16)12-19/h3-7,10-11H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide?
3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 110787410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).