N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C26H33NO6 — CID 43067809

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC
InChIInChI=1S/C26H33NO6/c1-29-22-14-18(15-23(30-2)25(22)31-3)6-9-24(28)27-17-26(10-4-5-11-26)19-7-8-20-21(16-19)33-13-12-32-20/h7-8,14-16H,4-6,9-13,17H2,1-3H3,(H,27,28)
InChIKeyFKCWYCOLKSIATH-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.04
Rot. Bonds9

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 43067809) has the molecular formula C26H33NO6 and a molecular weight of 455.55 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID43067809
Molecular FormulaC26H33NO6
Molecular Weight455.55 g/mol
Exact Mass455.23
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC
InChIInChI=1S/C26H33NO6/c1-29-22-14-18(15-23(30-2)25(22)31-3)6-9-24(28)27-17-26(10-4-5-11-26)19-7-8-20-21(16-19)33-13-12-32-20/h7-8,14-16H,4-6,9-13,17H2,1-3H3,(H,27,28)
InChIKeyFKCWYCOLKSIATH-UHFFFAOYSA-N
XLogP4.04
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 43067809) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is FKCWYCOLKSIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO6/c1-29-22-14-18(15-23(30-2)25(22)31-3)6-9-24(28)27-17-26(10-4-5-11-26)19-7-8-20-21(16-19)33-13-12-32-20/h7-8,14-16H,4-6,9-13,17H2,1-3H3,(H,27,28).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 455.55 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 43067809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).