N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

C25H29N3O7 — CID 24979841

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CC(=O)N(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C25H29N3O7/c1-4-27(15-23(29)26-17-5-8-20-22(12-17)35-10-9-34-20)25(31)16-11-24(30)28(14-16)19-7-6-18(32-2)13-21(19)33-3/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3,(H,26,29)
InChIKeyACVKFXDRKRFYGF-UHFFFAOYSA-N
MW483.52 g/mol
LogP2.32
Rot. Bonds8

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 24979841) has the molecular formula C25H29N3O7 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID24979841
Molecular FormulaC25H29N3O7
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CC(=O)N(c2ccc(OC)cc2OC)C1
InChIInChI=1S/C25H29N3O7/c1-4-27(15-23(29)26-17-5-8-20-22(12-17)35-10-9-34-20)25(31)16-11-24(30)28(14-16)19-7-6-18(32-2)13-21(19)33-3/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3,(H,26,29)
InChIKeyACVKFXDRKRFYGF-UHFFFAOYSA-N
XLogP2.32
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide 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-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 24979841) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CC(=O)N(c2ccc(OC)cc2OC)C1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ACVKFXDRKRFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7/c1-4-27(15-23(29)26-17-5-8-20-22(12-17)35-10-9-34-20)25(31)16-11-24(30)28(14-16)19-7-6-18(32-2)13-21(19)33-3/h5-8,12-13,16H,4,9-11,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-(2,4-dimethoxyphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24979841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).