N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide

C20H20N2O2 — CID 5128643

IUPACN-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1
InChIInChI=1S/C20H20N2O2/c1-12-13(2)22(4)19-10-7-16(11-18(12)19)20(24)21-17-8-5-15(6-9-17)14(3)23/h5-11H,1-4H3,(H,21,24)
InChIKeyQBWJGSRSFWUICQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.25
Rot. Bonds3

About N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide

N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide (PubChem CID 5128643) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
PubChem CID5128643
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1
InChIInChI=1S/C20H20N2O2/c1-12-13(2)22(4)19-10-7-16(11-18(12)19)20(24)21-17-8-5-15(6-9-17)14(3)23/h5-11H,1-4H3,(H,21,24)
InChIKeyQBWJGSRSFWUICQ-UHFFFAOYSA-N
XLogP4.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
CID 35328187
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
methyl 2-[(1,2,3-trimethylindole-5-carbonyl)amino]benzoate
CID 1225688
N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42537474
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
CID 20940028
N-[3-(2-methoxyethylsulfamoylmethyl)phenyl]-1,2,3-trimethylindole-5-carboxamide
CID 91954211
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 162715922
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765756

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide (CID 5128643) is N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide?
The InChIKey is QBWJGSRSFWUICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-13(2)22(4)19-10-7-16(11-18(12)19)20(24)21-17-8-5-15(6-9-17)14(3)23/h5-11H,1-4H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide?
N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide is sourced from PubChem (CID 5128643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).