7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

C20H21NO7 — CID 9267028

IUPAC7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
SMILESCCOc1ccccc1OCC(=O)Nc1cc2c(cc1C(=O)O)OCCCO2
InChIInChI=1S/C20H21NO7/c1-2-25-15-6-3-4-7-16(15)28-12-19(22)21-14-11-18-17(10-13(14)20(23)24)26-8-5-9-27-18/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyDUFKYQYWXMEOMF-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.96
Rot. Bonds7

About 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid (PubChem CID 9267028) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid.

Molecular Properties

Compound Name7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
PubChem CID9267028
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
SMILESCCOc1ccccc1OCC(=O)Nc1cc2c(cc1C(=O)O)OCCCO2
InChIInChI=1S/C20H21NO7/c1-2-25-15-6-3-4-7-16(15)28-12-19(22)21-14-11-18-17(10-13(14)20(23)24)26-8-5-9-27-18/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyDUFKYQYWXMEOMF-UHFFFAOYSA-N
XLogP2.96
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
7-(3-carboxypropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
CID 9404951
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide
CID 7924582
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993369
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-tert-butylphenoxy)acetamide
CID 32996399
methyl 2-[[2-(2-ethoxyphenoxy)acetyl]amino]-4,5-dimethoxybenzoate
CID 7917770
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenoxyacetamide
CID 5303197
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 39820182
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-ethoxyphenyl)propanamide
CID 32999398
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid?
The IUPAC name of 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid (CID 9267028) is 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid.
What is the SMILES notation for 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid?
The canonical SMILES for 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid is CCOc1ccccc1OCC(=O)Nc1cc2c(cc1C(=O)O)OCCCO2.
What is the InChIKey of 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid?
The InChIKey is DUFKYQYWXMEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-2-25-15-6-3-4-7-16(15)28-12-19(22)21-14-11-18-17(10-13(14)20(23)24)26-8-5-9-27-18/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid?
7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid has a molecular weight of 387.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid is sourced from PubChem (CID 9267028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).