4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide

C24H22N2O5 — CID 56545443

IUPAC4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-26(14-16-3-12-21-22(13-16)30-15-29-21)24(28)18-6-10-20(11-7-18)31-19-8-4-17(5-9-19)23(25)27/h3-13H,2,14-15H2,1H3,(H2,25,27)
InChIKeyJJRJXEPDZYXHSW-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.97
Rot. Bonds7

About 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide

4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide (PubChem CID 56545443) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide
PubChem CID56545443
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-2-26(14-16-3-12-21-22(13-16)30-15-29-21)24(28)18-6-10-20(11-7-18)31-19-8-4-17(5-9-19)23(25)27/h3-13H,2,14-15H2,1H3,(H2,25,27)
InChIKeyJJRJXEPDZYXHSW-UHFFFAOYSA-N
XLogP3.97
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
CID 56545342
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
4-[[[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]amino]methyl]benzoic acid
CID 122019865
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 51190042
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 55372001
4-[(1,3-benzodioxol-5-ylmethylcarbamoylamino)methyl]-N,N-diethylbenzamide
CID 38270534
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-ethylpropanamide
CID 54874683
benzyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 70700680
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 63788319
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-chlorophenyl)ethyl]-1-ethylurea
CID 86925059

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide (CID 56545443) is 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide?
The InChIKey is JJRJXEPDZYXHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-2-26(14-16-3-12-21-22(13-16)30-15-29-21)24(28)18-6-10-20(11-7-18)31-19-8-4-17(5-9-19)23(25)27/h3-13H,2,14-15H2,1H3,(H2,25,27).
What are the key properties of 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide?
4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide has a molecular weight of 418.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).