N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide

C17H17NO5 — CID 670515

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C17H17NO5/c1-20-13-6-4-12(8-15(13)21-2)17(19)18-9-11-3-5-14-16(7-11)23-10-22-14/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyXVLXQGFRLPIMRN-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.36
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide (PubChem CID 670515) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
PubChem CID670515
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C17H17NO5/c1-20-13-6-4-12(8-15(13)21-2)17(19)18-9-11-3-5-14-16(7-11)23-10-22-14/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyXVLXQGFRLPIMRN-UHFFFAOYSA-N
XLogP2.36
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
CID 110780516
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
2-(1,3-benzodioxol-5-ylmethylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 110824956
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-4-hydroxy-5-methoxybenzamide
CID 17472841
N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793911
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
CID 1297066
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 22548193

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide (CID 670515) is N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is XVLXQGFRLPIMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-20-13-6-4-12(8-15(13)21-2)17(19)18-9-11-3-5-14-16(7-11)23-10-22-14/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 315.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 670515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).