N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide

C19H21NO5 — CID 110780516

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1OC
InChIInChI=1S/C19H21NO5/c1-22-15-7-5-14(11-17(15)23-2)19(21)20-12-13-4-6-16-18(10-13)25-9-3-8-24-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21)
InChIKeyFFGADIDVAVHQGT-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.80
Rot. Bonds5

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide (PubChem CID 110780516) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
PubChem CID110780516
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1OC
InChIInChI=1S/C19H21NO5/c1-22-15-7-5-14(11-17(15)23-2)19(21)20-12-13-4-6-16-18(10-13)25-9-3-8-24-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21)
InChIKeyFFGADIDVAVHQGT-UHFFFAOYSA-N
XLogP2.80
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methoxy-4-methylbenzamide
CID 27761365
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38156799
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 27259757
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617256
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24543766
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9405471
4-amino-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxybenzamide;hydrochloride
CID 119756204
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide (CID 110780516) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1OC.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is FFGADIDVAVHQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-15-7-5-14(11-17(15)23-2)19(21)20-12-13-4-6-16-18(10-13)25-9-3-8-24-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 110780516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).