3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide

C22H22N2O3 — CID 55903530

IUPAC3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide
SMILESN#CCOc1ccc(C=CC(=O)NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H22N2O3/c23-12-14-26-20-8-4-17(5-9-20)6-11-22(25)24-13-15-27-21-10-7-18-2-1-3-19(18)16-21/h4-11,16H,1-3,13-15H2,(H,24,25)
InChIKeyGFOOWEBMIXSUJU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.29
Rot. Bonds8

About 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide

3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide (PubChem CID 55903530) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide
PubChem CID55903530
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide
SMILESN#CCOc1ccc(C=CC(=O)NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H22N2O3/c23-12-14-26-20-8-4-17(5-9-20)6-11-22(25)24-13-15-27-21-10-7-18-2-1-3-19(18)16-21/h4-11,16H,1-3,13-15H2,(H,24,25)
InChIKeyGFOOWEBMIXSUJU-UHFFFAOYSA-N
XLogP3.29
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 27174006
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78780303
3-[4-(cyanomethoxy)phenyl]-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111471057
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
(E)-3-[4-(cyanomethoxy)phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 26796222
(E)-3-[4-(cyanomethoxy)phenyl]-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315764
(E)-3-[4-(cyanomethoxy)phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 26593794
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 78778186
(E)-N-[2-(4-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26126122
(E)-3-[4-(cyanomethoxy)phenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 27838110
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide?
The IUPAC name of 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide (CID 55903530) is 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide?
The canonical SMILES for 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide is N#CCOc1ccc(C=CC(=O)NCCOc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide?
The InChIKey is GFOOWEBMIXSUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c23-12-14-26-20-8-4-17(5-9-20)6-11-22(25)24-13-15-27-21-10-7-18-2-1-3-19(18)16-21/h4-11,16H,1-3,13-15H2,(H,24,25).
What are the key properties of 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide?
3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyanomethoxy)phenyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]prop-2-enamide is sourced from PubChem (CID 55903530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).