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

C22H24N2O7 — CID 16596470

IUPAC[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H24N2O7/c1-28-17-5-3-16(4-6-17)22(27)24-13-21(26)31-14-20(25)23-9-8-15-2-7-18-19(12-15)30-11-10-29-18/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyJLGBXROSJCWZFM-UHFFFAOYSA-N
MW428.44 g/mol
LogP1.10
Rot. Bonds9

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

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 16596470) has the molecular formula C22H24N2O7 and a molecular weight of 428.44 g/mol. Its IUPAC name is [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID16596470
Molecular FormulaC22H24N2O7
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Name[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H24N2O7/c1-28-17-5-3-16(4-6-17)22(27)24-13-21(26)31-14-20(25)23-9-8-15-2-7-18-19(12-15)30-11-10-29-18/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyJLGBXROSJCWZFM-UHFFFAOYSA-N
XLogP1.10
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 16598816
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363
[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-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556909
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 110627843
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530725
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 26710403
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878245
[2-(3-methylbutylamino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883172
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 167944863
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 4215523
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 16596470) is [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is JLGBXROSJCWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7/c1-28-17-5-3-16(4-6-17)22(27)24-13-21(26)31-14-20(25)23-9-8-15-2-7-18-19(12-15)30-11-10-29-18/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)(H,24,27).
What are the key properties of [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 428.44 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 16596470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).