2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide

C27H25N3O2 — CID 3251424

IUPAC2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(c3c(C)[nH]c4ccccc34)CC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-17-8-12-20(13-9-17)29-26(32)27(25-19(3)28-23-7-5-4-6-22(23)25)16-24(31)30(27)21-14-10-18(2)11-15-21/h4-15,28H,16H2,1-3H3,(H,29,32)
InChIKeyFOTLNRFLFDFNMS-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.36
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide

2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide (PubChem CID 3251424) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
PubChem CID3251424
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(c3c(C)[nH]c4ccccc34)CC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C27H25N3O2/c1-17-8-12-20(13-9-17)29-26(32)27(25-19(3)28-23-7-5-4-6-22(23)25)16-24(31)30(27)21-14-10-18(2)11-15-21/h4-15,28H,16H2,1-3H3,(H,29,32)
InChIKeyFOTLNRFLFDFNMS-UHFFFAOYSA-N
XLogP5.36
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
1-(2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113211760
2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3809536
N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3837519
ethyl 4-[[1-(4-ethoxycarbonylphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carbonyl]amino]benzoate
CID 3803032
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211833
1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
CID 144925819
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 38715449
N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211787
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide (CID 3251424) is 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide is Cc1ccc(NC(=O)C2(c3c(C)[nH]c4ccccc34)CC(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
The InChIKey is FOTLNRFLFDFNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-17-8-12-20(13-9-17)29-26(32)27(25-19(3)28-23-7-5-4-6-22(23)25)16-24(31)30(27)21-14-10-18(2)11-15-21/h4-15,28H,16H2,1-3H3,(H,29,32).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide?
2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 3251424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).