N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C20H24N2O2 — CID 24536546

IUPACN-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1
InChIInChI=1S/C20H24N2O2/c1-4-12(2)14-8-10-15(11-9-14)21-20(24)19-13(3)18-16(22-19)6-5-7-17(18)23/h8-12,22H,4-7H2,1-3H3,(H,21,24)
InChIKeyWIYWABWGIYCFET-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.61
Rot. Bonds4

About N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 24536546) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID24536546
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1
InChIInChI=1S/C20H24N2O2/c1-4-12(2)14-8-10-15(11-9-14)21-20(24)19-13(3)18-16(22-19)6-5-7-17(18)23/h8-12,22H,4-7H2,1-3H3,(H,21,24)
InChIKeyWIYWABWGIYCFET-UHFFFAOYSA-N
XLogP4.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-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-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24575649
3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55840479
N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31011246
3-methyl-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 71938365
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7951887
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 39910650
methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 55996604
N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 17485032
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51177758
(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 24536546) is N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCC(C)c1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is WIYWABWGIYCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-12(2)14-8-10-15(11-9-14)21-20(24)19-13(3)18-16(22-19)6-5-7-17(18)23/h8-12,22H,4-7H2,1-3H3,(H,21,24).
What are the key properties of N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 24536546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).