N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide

C23H21NO5 — CID 8702201

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1
InChIInChI=1S/C23H21NO5/c1-26-21-13-17(7-9-19(21)29-15-16-5-3-2-4-6-16)23(25)24-18-8-10-20-22(14-18)28-12-11-27-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,25)
InChIKeyPMYLUSLYILZYCT-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.30
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 8702201) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
PubChem CID8702201
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1
InChIInChI=1S/C23H21NO5/c1-26-21-13-17(7-9-19(21)29-15-16-5-3-2-4-6-16)23(25)24-18-8-10-20-22(14-18)28-12-11-27-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,25)
InChIKeyPMYLUSLYILZYCT-UHFFFAOYSA-N
XLogP4.30
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
3-[(2-bromophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 997517
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55578633
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
N-(1,3-benzodioxol-5-yl)-3-bromo-5-methoxy-4-phenylmethoxybenzamide
CID 2471016
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838786
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide (CID 8702201) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is PMYLUSLYILZYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-26-21-13-17(7-9-19(21)29-15-16-5-3-2-4-6-16)23(25)24-18-8-10-20-22(14-18)28-12-11-27-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 391.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 8702201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).