N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide

C19H20N2O2 — CID 9261211

IUPACN-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H20N2O2/c1-2-23-18-6-4-3-5-16(18)9-12-19(22)21-17-10-7-15(8-11-17)13-14-20/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,22)
InChIKeyZBTYTMGXRCGMPG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.72
Rot. Bonds7

About N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide

N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 9261211) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID9261211
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C19H20N2O2/c1-2-23-18-6-4-3-5-16(18)9-12-19(22)21-17-10-7-15(8-11-17)13-14-20/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,22)
InChIKeyZBTYTMGXRCGMPG-UHFFFAOYSA-N
XLogP3.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
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3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
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N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
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CID 17362890
3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
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3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide (CID 9261211) is N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is ZBTYTMGXRCGMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-18-6-4-3-5-16(18)9-12-19(22)21-17-10-7-15(8-11-17)13-14-20/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,22).
What are the key properties of N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide?
N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 9261211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).