N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

C18H19NO4 — CID 110793911

IUPACN-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCCc1ccc(OC)c(CNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19NO4/c1-3-12-4-6-15(21-2)14(8-12)10-19-18(20)13-5-7-16-17(9-13)23-11-22-16/h4-9H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyIXZVEJJISPJFOX-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.92
Rot. Bonds5

About N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110793911) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110793911
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCCc1ccc(OC)c(CNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19NO4/c1-3-12-4-6-15(21-2)14(8-12)10-19-18(20)13-5-7-16-17(9-13)23-11-22-16/h4-9H,3,10-11H2,1-2H3,(H,19,20)
InChIKeyIXZVEJJISPJFOX-UHFFFAOYSA-N
XLogP2.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793489
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793620
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794272
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
(5-acetyl-2-methoxyphenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883151
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
CID 110780516
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794166
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110793911) is N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is CCc1ccc(OC)c(CNC(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IXZVEJJISPJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-12-4-6-15(21-2)14(8-12)10-19-18(20)13-5-7-16-17(9-13)23-11-22-16/h4-9H,3,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110793911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).