2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide

C25H24N2O5 — CID 17430137

IUPAC2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
SMILESCC(Oc1ccccc1C(=O)NCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C25H24N2O5/c1-17(24(28)26-15-19-11-12-22-23(13-19)31-16-30-22)32-21-10-6-5-9-20(21)25(29)27-14-18-7-3-2-4-8-18/h2-13,17H,14-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyBEJKYWJFOLUNJG-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.43
Rot. Bonds8

About 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide

2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide (PubChem CID 17430137) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
PubChem CID17430137
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide
SMILESCC(Oc1ccccc1C(=O)NCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C25H24N2O5/c1-17(24(28)26-15-19-11-12-22-23(13-19)31-16-30-22)32-21-10-6-5-9-20(21)25(29)27-14-18-7-3-2-4-8-18/h2-13,17H,14-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyBEJKYWJFOLUNJG-UHFFFAOYSA-N
XLogP3.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522885
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498411
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8523677
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 16523862
3-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45396767
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17013697
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7844542
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 2503358
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 51905247
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 7984671

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
The IUPAC name of 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide (CID 17430137) is 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
The canonical SMILES for 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide is CC(Oc1ccccc1C(=O)NCc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
The InChIKey is BEJKYWJFOLUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(24(28)26-15-19-11-12-22-23(13-19)31-16-30-22)32-21-10-6-5-9-20(21)25(29)27-14-18-7-3-2-4-8-18/h2-13,17H,14-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide?
2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide has a molecular weight of 432.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-N-benzylbenzamide is sourced from PubChem (CID 17430137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).