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

C24H21NO5 — CID 1267515

IUPAC3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2C(=O)c2ccc(C)cc2)OCCO3)c1
InChIInChI=1S/C24H21NO5/c1-15-6-8-16(9-7-15)23(26)19-13-21-22(30-11-10-29-21)14-20(19)25-24(27)17-4-3-5-18(12-17)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)
InChIKeyDZTZRVJZCCISTR-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.26
Rot. Bonds5

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

3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (PubChem CID 1267515) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
PubChem CID1267515
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2C(=O)c2ccc(C)cc2)OCCO3)c1
InChIInChI=1S/C24H21NO5/c1-15-6-8-16(9-7-15)23(26)19-13-21-22(30-11-10-29-21)14-20(19)25-24(27)17-4-3-5-18(12-17)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)
InChIKeyDZTZRVJZCCISTR-UHFFFAOYSA-N
XLogP4.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The IUPAC name of 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (CID 1267515) is 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is COc1cccc(C(=O)Nc2cc3c(cc2C(=O)c2ccc(C)cc2)OCCO3)c1.
What is the InChIKey of 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The InChIKey is DZTZRVJZCCISTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-15-6-8-16(9-7-15)23(26)19-13-21-22(30-11-10-29-21)14-20(19)25-24(27)17-4-3-5-18(12-17)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,27).
What are the key properties of 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide has a molecular weight of 403.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is sourced from PubChem (CID 1267515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).