2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide

C23H20N2O5 — CID 7685249

IUPAC2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H20N2O5/c26-22(25-17-10-11-20-21(12-17)30-15-29-20)14-28-19-9-5-4-8-18(19)23(27)24-13-16-6-2-1-3-7-16/h1-12H,13-15H2,(H,24,27)(H,25,26)
InChIKeyPTIHMQBGMKETOV-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.36
Rot. Bonds7

About 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide

2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide (PubChem CID 7685249) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
PubChem CID7685249
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H20N2O5/c26-22(25-17-10-11-20-21(12-17)30-15-29-20)14-28-19-9-5-4-8-18(19)23(27)24-13-16-6-2-1-3-7-16/h1-12H,13-15H2,(H,24,27)(H,25,26)
InChIKeyPTIHMQBGMKETOV-UHFFFAOYSA-N
XLogP3.36
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide 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-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-benzyl-2-[2-(3-nitroanilino)-2-oxoethoxy]benzamide
CID 7981684
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523990
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-(1,3-benzodioxol-5-yl)-2-[4-(benzylsulfamoyl)phenoxy]acetamide
CID 1088591
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
CID 17430137
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
N-(1,3-benzodioxol-5-yl)-2-(2-benzoyl-5-methoxyphenoxy)acetamide
CID 8932851

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide (CID 7685249) is 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide is O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide?
The InChIKey is PTIHMQBGMKETOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c26-22(25-17-10-11-20-21(12-17)30-15-29-20)14-28-19-9-5-4-8-18(19)23(27)24-13-16-6-2-1-3-7-16/h1-12H,13-15H2,(H,24,27)(H,25,26).
What are the key properties of 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide?
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide has a molecular weight of 404.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide is sourced from PubChem (CID 7685249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).