N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H23NO5 — CID 100617256

IUPACN-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1OCC
InChIInChI=1S/C20H23NO5/c1-3-23-16-7-5-14(11-18(16)24-4-2)13-21-20(22)15-6-8-17-19(12-15)26-10-9-25-17/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,22)
InChIKeyBVTISZLASJTLJN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.19
Rot. Bonds7

About N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 100617256) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID100617256
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1OCC
InChIInChI=1S/C20H23NO5/c1-3-23-16-7-5-14(11-18(16)24-4-2)13-21-20(22)15-6-8-17-19(12-15)26-10-9-25-17/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,22)
InChIKeyBVTISZLASJTLJN-UHFFFAOYSA-N
XLogP3.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.19
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
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxy-3-nitrobenzamide
CID 9391669
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 16598816
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
N-[(4-acetamidophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18154098
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55660720
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561903
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 27259757
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 100617256) is N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCOc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is BVTISZLASJTLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-23-16-7-5-14(11-18(16)24-4-2)13-21-20(22)15-6-8-17-19(12-15)26-10-9-25-17/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 100617256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).