2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide

C24H22N2O5 — CID 7981027

IUPAC2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H22N2O5/c1-16(17-11-12-21-22(13-17)31-15-30-21)25-23(27)14-29-20-10-6-5-9-19(20)24(28)26-18-7-3-2-4-8-18/h2-13,16H,14-15H2,1H3,(H,25,27)(H,26,28)/t16-/m1/s1
InChIKeyWTVWHNLDCQBZOC-MRXNPFEDSA-N
MW418.45 g/mol
LogP3.92
Rot. Bonds7

About 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide

2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 7981027) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID7981027
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H22N2O5/c1-16(17-11-12-21-22(13-17)31-15-30-21)25-23(27)14-29-20-10-6-5-9-19(20)24(28)26-18-7-3-2-4-8-18/h2-13,16H,14-15H2,1H3,(H,25,27)(H,26,28)/t16-/m1/s1
InChIKeyWTVWHNLDCQBZOC-MRXNPFEDSA-N
XLogP3.92
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide
CID 24578747
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 18133884
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 51140353
[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554668
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18143447
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775944
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 45015101
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 42916620
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide (CID 7981027) is 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide is C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is WTVWHNLDCQBZOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-16(17-11-12-21-22(13-17)31-15-30-21)25-23(27)14-29-20-10-6-5-9-19(20)24(28)26-18-7-3-2-4-8-18/h2-13,16H,14-15H2,1H3,(H,25,27)(H,26,28)/t16-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide?
2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 418.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 7981027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).