4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

C24H21NO5 — CID 53338560

IUPAC4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2C(=O)Cc2ccccc2)OCCO3)cc1
InChIInChI=1S/C24H21NO5/c1-28-18-9-7-17(8-10-18)24(27)25-20-15-23-22(29-11-12-30-23)14-19(20)21(26)13-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,25,27)
InChIKeyUWKQRRUZUKWRJQ-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.14
Rot. Bonds6

About 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (PubChem CID 53338560) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
PubChem CID53338560
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2C(=O)Cc2ccccc2)OCCO3)cc1
InChIInChI=1S/C24H21NO5/c1-28-18-9-7-17(8-10-18)24(27)25-20-15-23-22(29-11-12-30-23)14-19(20)21(26)13-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,25,27)
InChIKeyUWKQRRUZUKWRJQ-UHFFFAOYSA-N
XLogP4.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 5304575
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
CID 46443447
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
4-methoxy-N-[2-[[2-[(4-methoxybenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide
CID 135052422
N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide
CID 25249348
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The IUPAC name of 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (CID 53338560) is 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is COc1ccc(C(=O)Nc2cc3c(cc2C(=O)Cc2ccccc2)OCCO3)cc1.
What is the InChIKey of 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The InChIKey is UWKQRRUZUKWRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-28-18-9-7-17(8-10-18)24(27)25-20-15-23-22(29-11-12-30-23)14-19(20)21(26)13-16-5-3-2-4-6-16/h2-10,14-15H,11-13H2,1H3,(H,25,27).
What are the key properties of 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide has a molecular weight of 403.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is sourced from PubChem (CID 53338560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).