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

C23H27NO4 — CID 55470138

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C23H27NO4/c1-17(28-19-7-3-2-4-8-19)22(25)24-16-23(11-5-6-12-23)18-9-10-20-21(15-18)27-14-13-26-20/h2-4,7-10,15,17H,5-6,11-14,16H2,1H3,(H,24,25)
InChIKeyYYEBGMJAJCCMLK-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.85
Rot. Bonds6

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

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide (PubChem CID 55470138) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide
PubChem CID55470138
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C23H27NO4/c1-17(28-19-7-3-2-4-8-19)22(25)24-16-23(11-5-6-12-23)18-9-10-20-21(15-18)27-14-13-26-20/h2-4,7-10,15,17H,5-6,11-14,16H2,1H3,(H,24,25)
InChIKeyYYEBGMJAJCCMLK-UHFFFAOYSA-N
XLogP3.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 46405004
3-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]benzamide
CID 119697137
2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119697130
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxan-4-yl]methyl]-3,3-diphenylpropanamide
CID 1076277
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111852398

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide (CID 55470138) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide?
The InChIKey is YYEBGMJAJCCMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-17(28-19-7-3-2-4-8-19)22(25)24-16-23(11-5-6-12-23)18-9-10-20-21(15-18)27-14-13-26-20/h2-4,7-10,15,17H,5-6,11-14,16H2,1H3,(H,24,25).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide has a molecular weight of 381.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 55470138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).