N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide

C24H24N2O3 — CID 56534400

IUPACN-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C24H24N2O3/c1-2-28-21-9-7-20(8-10-21)26(12-4-11-25)24(27)15-19-16-29-23-14-18-6-3-5-17(18)13-22(19)23/h7-10,13-14,16H,2-6,12,15H2,1H3
InChIKeyIPMMBOQLNRISEQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.81
Rot. Bonds7

About N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide

N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 56534400) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID56534400
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C24H24N2O3/c1-2-28-21-9-7-20(8-10-21)26(12-4-11-25)24(27)15-19-16-29-23-14-18-6-3-5-17(18)13-22(19)23/h7-10,13-14,16H,2-6,12,15H2,1H3
InChIKeyIPMMBOQLNRISEQ-UHFFFAOYSA-N
XLogP4.81
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide with MolForge

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Related Compounds

[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 4795045
N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 47795985
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 55362882
N-(2-cyanoethyl)-3-(2,4-dimethylphenyl)-N-(4-ethoxyphenyl)propanamide
CID 56534475
4,5-dibromo-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 55488066
N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
CID 56569940
N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 18861012
(4-methoxyphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18277245
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
N-(2-cyanoethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 78761794
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572846

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide (CID 56534400) is N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(CCC#N)C(=O)Cc2coc3cc4c(cc23)CCC4)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is IPMMBOQLNRISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-28-21-9-7-20(8-10-21)26(12-4-11-25)24(27)15-19-16-29-23-14-18-6-3-5-17(18)13-22(19)23/h7-10,13-14,16H,2-6,12,15H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 56534400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).