N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide

C27H25N3O4 — CID 3383947

IUPACN-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)Nc2ccc3c(c2)OCO3)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H25N3O4/c1-17-7-9-18(10-8-17)26(27(32)29-20-11-12-23-24(14-20)34-16-33-23)30(2)25(31)13-19-15-28-22-6-4-3-5-21(19)22/h3-12,14-15,26,28H,13,16H2,1-2H3,(H,29,32)
InChIKeyRUHOILKYIGRZSI-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.59
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide

N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide (PubChem CID 3383947) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide
PubChem CID3383947
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)Nc2ccc3c(c2)OCO3)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H25N3O4/c1-17-7-9-18(10-8-17)26(27(32)29-20-11-12-23-24(14-20)34-16-33-23)30(2)25(31)13-19-15-28-22-6-4-3-5-21(19)22/h3-12,14-15,26,28H,13,16H2,1-2H3,(H,29,32)
InChIKeyRUHOILKYIGRZSI-UHFFFAOYSA-N
XLogP4.59
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)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-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide (CID 3383947) is N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)Nc2ccc3c(c2)OCO3)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide?
The InChIKey is RUHOILKYIGRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-17-7-9-18(10-8-17)26(27(32)29-20-11-12-23-24(14-20)34-16-33-23)30(2)25(31)13-19-15-28-22-6-4-3-5-21(19)22/h3-12,14-15,26,28H,13,16H2,1-2H3,(H,29,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide has a molecular weight of 455.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 3383947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).