[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

C25H30N2O8 — CID 16598816

IUPAC[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1OCC
InChIInChI=1S/C25H30N2O8/c1-3-31-19-8-6-18(14-22(19)32-4-2)25(30)27-15-24(29)35-16-23(28)26-10-9-17-5-7-20-21(13-17)34-12-11-33-20/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyCHIGLPDHEORSJS-UHFFFAOYSA-N
MW486.52 g/mol
LogP1.89
Rot. Bonds12

About [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 16598816) has the molecular formula C25H30N2O8 and a molecular weight of 486.52 g/mol. Its IUPAC name is [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID16598816
Molecular FormulaC25H30N2O8
Molecular Weight486.52 g/mol
Exact Mass486.20
IUPAC Name[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1OCC
InChIInChI=1S/C25H30N2O8/c1-3-31-19-8-6-18(14-22(19)32-4-2)25(30)27-15-24(29)35-16-23(28)26-10-9-17-5-7-20-21(13-17)34-12-11-33-20/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyCHIGLPDHEORSJS-UHFFFAOYSA-N
XLogP1.89
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 16596470
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617256
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 24593426
[2-(3-methylbutylamino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883172
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 3971921
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561903
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
CID 86950625
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 8574255
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 16595785
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 5175769

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 16598816) is [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1OCC.
What is the InChIKey of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is CHIGLPDHEORSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O8/c1-3-31-19-8-6-18(14-22(19)32-4-2)25(30)27-15-24(29)35-16-23(28)26-10-9-17-5-7-20-21(13-17)34-12-11-33-20/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 486.52 g/mol, XLogP of 1.89, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 16598816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).