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

C24H22N2O5 — CID 7981672

IUPAC2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H22N2O5/c27-23(25-14-18-10-11-21-22(12-18)31-16-30-21)15-29-20-9-5-4-8-19(20)24(28)26-13-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,25,27)(H,26,28)
InChIKeyMPPZOZGFOCDGIN-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.04
Rot. Bonds8

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

2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide (PubChem CID 7981672) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
PubChem CID7981672
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
SMILESO=C(COc1ccccc1C(=O)NCc1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C24H22N2O5/c27-23(25-14-18-10-11-21-22(12-18)31-16-30-21)15-29-20-9-5-4-8-19(20)24(28)26-13-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,25,27)(H,26,28)
InChIKeyMPPZOZGFOCDGIN-UHFFFAOYSA-N
XLogP3.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7685249
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
CID 17430137
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112992842
N-(1,3-benzodioxol-5-ylmethyl)-N'-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 3284924
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2-benzylphenoxy)acetyl]amino]thiourea
CID 24637371
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2352522
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenoxybenzamide
CID 27761128
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] benzoate
CID 5115531

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide (CID 7981672) is 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide is O=C(COc1ccccc1C(=O)NCc1ccccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide?
The InChIKey is MPPZOZGFOCDGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c27-23(25-14-18-10-11-21-22(12-18)31-16-30-21)15-29-20-9-5-4-8-19(20)24(28)26-13-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,25,27)(H,26,28).
What are the key properties of 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide?
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide has a molecular weight of 418.45 g/mol, XLogP of 3.04, 8 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-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide is sourced from PubChem (CID 7981672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).