3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

C18H18N2O2 — CID 18120132

IUPAC3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-3-4-9-17(14)22-11-10-20(2)18(21)16-8-5-7-15(12-16)13-19/h3-9,12H,10-11H2,1-2H3
InChIKeyDNNSCUVBPORMSM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.02
Rot. Bonds5

About 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 18120132) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID18120132
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-3-4-9-17(14)22-11-10-20(2)18(21)16-8-5-7-15(12-16)13-19/h3-9,12H,10-11H2,1-2H3
InChIKeyDNNSCUVBPORMSM-UHFFFAOYSA-N
XLogP3.02
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
N-[2-(2-chloroethoxy)ethyl]-3-cyano-N-methylbenzamide
CID 114242732
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 8696563
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46508301
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26979430
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
(2S)-N-[2-(3-cyanophenoxy)ethyl]-2-hydroxy-N-methyl-2-phenylacetamide
CID 95908666
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 18120132) is 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is Cc1ccccc1OCCN(C)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is DNNSCUVBPORMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-6-3-4-9-17(14)22-11-10-20(2)18(21)16-8-5-7-15(12-16)13-19/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 18120132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).