N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide

C24H24N2O4 — CID 6623291

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O4/c1-16-6-3-4-7-19(16)24(28)20-8-5-11-26(20)15-23(27)25-17(2)18-9-10-21-22(14-18)30-13-12-29-21/h3-11,14,17H,12-13,15H2,1-2H3,(H,25,27)
InChIKeyLHJTXWQAMBCQSE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.68
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide (PubChem CID 6623291) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
PubChem CID6623291
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
SMILESCc1ccccc1C(=O)c1cccn1CC(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H24N2O4/c1-16-6-3-4-7-19(16)24(28)20-8-5-11-26(20)15-23(27)25-17(2)18-9-10-21-22(14-18)30-13-12-29-21/h3-11,14,17H,12-13,15H2,1-2H3,(H,25,27)
InChIKeyLHJTXWQAMBCQSE-UHFFFAOYSA-N
XLogP3.68
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide 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 N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide (CID 6623291) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide is Cc1ccccc1C(=O)c1cccn1CC(=O)NC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The InChIKey is LHJTXWQAMBCQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-6-3-4-7-19(16)24(28)20-8-5-11-26(20)15-23(27)25-17(2)18-9-10-21-22(14-18)30-13-12-29-21/h3-11,14,17H,12-13,15H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 6623291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).