N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide

C29H23N3O4 — CID 77455139

IUPACN-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide
SMILESCc1ccc2c(c1)C(=NNC(=O)c1ccc(C(=O)C/N=C3\C(=O)Cc4ccc(C)cc43)cc1)C(=O)C2
InChIInChI=1S/C29H23N3O4/c1-16-3-5-20-13-24(33)27(22(20)11-16)30-15-26(35)18-7-9-19(10-8-18)29(36)32-31-28-23-12-17(2)4-6-21(23)14-25(28)34/h3-12H,13-15H2,1-2H3,(H,32,36)/b30-27-,31-28?
InChIKeyPGHJBMGXCNTPEA-TUVGNZOFSA-N
MW477.52 g/mol
LogP3.36
Rot. Bonds5

About N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide

N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide (PubChem CID 77455139) has the molecular formula C29H23N3O4 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide
PubChem CID77455139
Molecular FormulaC29H23N3O4
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC NameN-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide
SMILESCc1ccc2c(c1)C(=NNC(=O)c1ccc(C(=O)C/N=C3\C(=O)Cc4ccc(C)cc43)cc1)C(=O)C2
InChIInChI=1S/C29H23N3O4/c1-16-3-5-20-13-24(33)27(22(20)11-16)30-15-26(35)18-7-9-19(10-8-18)29(36)32-31-28-23-12-17(2)4-6-21(23)14-25(28)34/h3-12H,13-15H2,1-2H3,(H,32,36)/b30-27-,31-28?
InChIKeyPGHJBMGXCNTPEA-TUVGNZOFSA-N
XLogP3.36
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]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 N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide?
The IUPAC name of N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide (CID 77455139) is N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide?
The canonical SMILES for N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide is Cc1ccc2c(c1)C(=NNC(=O)c1ccc(C(=O)C/N=C3\C(=O)Cc4ccc(C)cc43)cc1)C(=O)C2.
What is the InChIKey of N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide?
The InChIKey is PGHJBMGXCNTPEA-TUVGNZOFSA-N. The full InChI is InChI=1S/C29H23N3O4/c1-16-3-5-20-13-24(33)27(22(20)11-16)30-15-26(35)18-7-9-19(10-8-18)29(36)32-31-28-23-12-17(2)4-6-21(23)14-25(28)34/h3-12H,13-15H2,1-2H3,(H,32,36)/b30-27-,31-28?.
What are the key properties of N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide?
N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide has a molecular weight of 477.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]-4-[2-[(6-methyl-2-oxo-3H-inden-1-ylidene)amino]acetyl]benzamide is sourced from PubChem (CID 77455139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).