N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide

C23H21NO4 — CID 55835583

IUPACN-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1cccc2c1OCO2
InChIInChI=1S/C23H21NO4/c25-23(20-11-6-12-21-22(20)28-16-27-21)24-13-18-9-4-5-10-19(18)15-26-14-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,25)
InChIKeyGJUVVRHJEOPTKH-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.06
Rot. Bonds7

About N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide

N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide (PubChem CID 55835583) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide
PubChem CID55835583
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1cccc2c1OCO2
InChIInChI=1S/C23H21NO4/c25-23(20-11-6-12-21-22(20)28-16-27-21)24-13-18-9-4-5-10-19(18)15-26-14-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,25)
InChIKeyGJUVVRHJEOPTKH-UHFFFAOYSA-N
XLogP4.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[[2-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694446
5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 46465244
N-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52775190
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80711178
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653
N-[(2-bromo-5-fluorophenyl)methyl]-1,3-benzodioxole-4-carboxamide
CID 55899212
N-[2-(diethylamino)-3-phenylpropyl]-1,3-benzodioxole-4-carboxamide
CID 55835831
N-(3-methoxypropyl)-1,3-benzodioxole-4-carboxamide
CID 110699403
methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
CID 55766169
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55698143
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428

Frequently Asked Questions

What is the IUPAC name of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide (CID 55835583) is N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide is O=C(NCc1ccccc1COCc1ccccc1)c1cccc2c1OCO2.
What is the InChIKey of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
The InChIKey is GJUVVRHJEOPTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-23(20-11-6-12-21-22(20)28-16-27-21)24-13-18-9-4-5-10-19(18)15-26-14-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,25).
What are the key properties of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide?
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55835583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).