N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide

C22H19NO5 — CID 55804746

IUPACN-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C22H19NO5/c1-25-18-7-3-5-16(11-18)22(24)23-17-6-2-4-15(10-17)13-26-19-8-9-20-21(12-19)28-14-27-20/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyYHJQMCOHBMYMMY-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.26
Rot. Bonds6

About N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide

N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide (PubChem CID 55804746) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
PubChem CID55804746
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC NameN-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C22H19NO5/c1-25-18-7-3-5-16(11-18)22(24)23-17-6-2-4-15(10-17)13-26-19-8-9-20-21(12-19)28-14-27-20/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyYHJQMCOHBMYMMY-UHFFFAOYSA-N
XLogP4.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55805067
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxypropanamide
CID 120986488
N-[3-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30838985
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119729232
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-pentylurea
CID 52641021
2-amino-N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]pentanamide
CID 119292475
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(3-methylbutyl)urea
CID 52641109
N-[1-[3-(1,3-benzodioxol-5-yloxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55970882

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide (CID 55804746) is N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide?
The InChIKey is YHJQMCOHBMYMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-25-18-7-3-5-16(11-18)22(24)23-17-6-2-4-15(10-17)13-26-19-8-9-20-21(12-19)28-14-27-20/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide?
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide has a molecular weight of 377.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 55804746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).