2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide

C23H25N3O3 — CID 55471222

IUPAC2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide
SMILESN#Cc1ccc(NCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1
InChIInChI=1S/C23H25N3O3/c24-14-17-3-6-19(7-4-17)25-15-22(27)26-16-23(9-1-2-10-23)18-5-8-20-21(13-18)29-12-11-28-20/h3-8,13,25H,1-2,9-12,15-16H2,(H,26,27)
InChIKeyJZYZIOGEBUEWMX-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide

2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide (PubChem CID 55471222) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide
PubChem CID55471222
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide
SMILESN#Cc1ccc(NCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1
InChIInChI=1S/C23H25N3O3/c24-14-17-3-6-19(7-4-17)25-15-22(27)26-16-23(9-1-2-10-23)18-5-8-20-21(13-18)29-12-11-28-20/h3-8,13,25H,1-2,9-12,15-16H2,(H,26,27)
InChIKeyJZYZIOGEBUEWMX-UHFFFAOYSA-N
XLogP3.37
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119697130
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanoanilino)acetamide
CID 26437492
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 46417934
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 47050546
2-[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-2-oxoethyl]sulfanylbenzamide
CID 166200591
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide (CID 55471222) is 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide is N#Cc1ccc(NCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide?
The InChIKey is JZYZIOGEBUEWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c24-14-17-3-6-19(7-4-17)25-15-22(27)26-16-23(9-1-2-10-23)18-5-8-20-21(13-18)29-12-11-28-20/h3-8,13,25H,1-2,9-12,15-16H2,(H,26,27).
What are the key properties of 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide?
2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 55471222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).