N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide

C23H23N3O3 — CID 55897786

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide
SMILESCN(c1ccccc1)c1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H23N3O3/c1-26(18-7-3-2-4-8-18)20-10-6-5-9-19(20)24-15-23(27)25-14-17-11-12-21-22(13-17)29-16-28-21/h2-13,24H,14-16H2,1H3,(H,25,27)
InChIKeyXYNQFQUJBRYYEC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.91
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide (PubChem CID 55897786) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide
PubChem CID55897786
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide
SMILESCN(c1ccccc1)c1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H23N3O3/c1-26(18-7-3-2-4-8-18)20-10-6-5-9-19(20)24-15-23(27)25-14-17-11-12-21-22(13-17)29-16-28-21/h2-13,24H,14-16H2,1H3,(H,25,27)
InChIKeyXYNQFQUJBRYYEC-UHFFFAOYSA-N
XLogP3.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxyethoxy)anilino]acetamide
CID 52758367
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 108998849
2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144263
N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)acetamide
CID 27149961
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542953
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylethylamino)acetamide
CID 84867168
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
CID 108998869
N-(1,3-benzodioxol-5-ylmethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2973295
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] benzoate
CID 5115531
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylanilino)acetamide
CID 108998839
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108947214

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide (CID 55897786) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide is CN(c1ccccc1)c1ccccc1NCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide?
The InChIKey is XYNQFQUJBRYYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(18-7-3-2-4-8-18)20-10-6-5-9-19(20)24-15-23(27)25-14-17-11-12-21-22(13-17)29-16-28-21/h2-13,24H,14-16H2,1H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide is sourced from PubChem (CID 55897786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).