6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide

C23H30N2O5 — CID 54065468

IUPAC6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN(C)C2COc3cccc(OC)c3O2)cc1
InChIInChI=1S/C23H30N2O5/c1-25(22-16-29-20-9-7-8-19(28-3)23(20)30-22)15-6-4-5-10-21(26)24-17-11-13-18(27-2)14-12-17/h7-9,11-14,22H,4-6,10,15-16H2,1-3H3,(H,24,26)
InChIKeyMCQBHVFGRNSJRJ-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.93
Rot. Bonds10

About 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide

6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide (PubChem CID 54065468) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide
PubChem CID54065468
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN(C)C2COc3cccc(OC)c3O2)cc1
InChIInChI=1S/C23H30N2O5/c1-25(22-16-29-20-9-7-8-19(28-3)23(20)30-22)15-6-4-5-10-21(26)24-17-11-13-18(27-2)14-12-17/h7-9,11-14,22H,4-6,10,15-16H2,1-3H3,(H,24,26)
InChIKeyMCQBHVFGRNSJRJ-UHFFFAOYSA-N
XLogP3.93
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide with MolForge

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Related Compounds

5-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]-N-(4-methylphenyl)pentanamide
CID 54084023
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(3,4-dichlorophenyl)-5-[2,3-dihydro-1,4-benzodioxin-3-yl(methyl)amino]pentanamide
CID 19422081
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
CID 163487525
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817257
(3S)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094964
2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817215
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide?
The IUPAC name of 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide (CID 54065468) is 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide.
What is the SMILES notation for 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide?
The canonical SMILES for 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide is COc1ccc(NC(=O)CCCCCN(C)C2COc3cccc(OC)c3O2)cc1.
What is the InChIKey of 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide?
The InChIKey is MCQBHVFGRNSJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-25(22-16-29-20-9-7-8-19(28-3)23(20)30-22)15-6-4-5-10-21(26)24-17-11-13-18(27-2)14-12-17/h7-9,11-14,22H,4-6,10,15-16H2,1-3H3,(H,24,26).
What are the key properties of 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide?
6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide has a molecular weight of 414.50 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-methylamino]-N-(4-methoxyphenyl)hexanamide is sourced from PubChem (CID 54065468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).