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

C25H31NO5 — CID 43067802

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1OC
InChIInChI=1S/C25H31NO5/c1-28-21-7-5-6-18(24(21)29-2)8-11-23(27)26-17-25(12-3-4-13-25)19-9-10-20-22(16-19)31-15-14-30-20/h5-7,9-10,16H,3-4,8,11-15,17H2,1-2H3,(H,26,27)
InChIKeyNUHSOSVYQLXIQG-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.04
Rot. Bonds8

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

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide (PubChem CID 43067802) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide
PubChem CID43067802
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1OC
InChIInChI=1S/C25H31NO5/c1-28-21-7-5-6-18(24(21)29-2)8-11-23(27)26-17-25(12-3-4-13-25)19-9-10-20-22(16-19)31-15-14-30-20/h5-7,9-10,16H,3-4,8,11-15,17H2,1-2H3,(H,26,27)
InChIKeyNUHSOSVYQLXIQG-UHFFFAOYSA-N
XLogP4.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067809
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
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]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46417908
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119749613
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]-2-phenoxypropanamide
CID 55470138
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 47050546
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55629089
3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563112

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide (CID 43067802) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide is COc1cccc(CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1OC.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide?
The InChIKey is NUHSOSVYQLXIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO5/c1-28-21-7-5-6-18(24(21)29-2)8-11-23(27)26-17-25(12-3-4-13-25)19-9-10-20-22(16-19)31-15-14-30-20/h5-7,9-10,16H,3-4,8,11-15,17H2,1-2H3,(H,26,27).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide has a molecular weight of 425.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dimethoxyphenyl)propanamide is sourced from PubChem (CID 43067802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).