N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide

C23H26N2O3 — CID 102440445

IUPACN-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)N(C(C)=O)C(C)(C)C)c3ccccc3n2C)cc1
InChIInChI=1S/C23H26N2O3/c1-15(26)25(23(2,3)4)22(27)20-18-9-7-8-10-19(18)24(5)21(20)16-11-13-17(28-6)14-12-16/h7-14H,1-6H3
InChIKeyJXWYSBQZEYBSTJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.64
Rot. Bonds3

About N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide

N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide (PubChem CID 102440445) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide
PubChem CID102440445
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)N(C(C)=O)C(C)(C)C)c3ccccc3n2C)cc1
InChIInChI=1S/C23H26N2O3/c1-15(26)25(23(2,3)4)22(27)20-18-9-7-8-10-19(18)24(5)21(20)16-11-13-17(28-6)14-12-16/h7-14H,1-6H3
InChIKeyJXWYSBQZEYBSTJ-UHFFFAOYSA-N
XLogP4.64
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
CID 155676892
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
CID 132607636
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
CID 5296340
2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide
CID 101108562
(2Z)-1-(4-methoxyphenyl)-2-(4-methyl-1,2-diphenylcyclopenta[b]indol-3-ylidene)ethanone
CID 102230996
2-(1,2-dimethylindol-3-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-oxoacetamide
CID 16800790
1-(2-tert-butyl-1-methylindol-3-yl)ethanone
CID 101348045
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
CID 154119569

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
The IUPAC name of N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide (CID 102440445) is N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide is COc1ccc(-c2c(C(=O)N(C(C)=O)C(C)(C)C)c3ccccc3n2C)cc1.
What is the InChIKey of N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
The InChIKey is JXWYSBQZEYBSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(26)25(23(2,3)4)22(27)20-18-9-7-8-10-19(18)24(5)21(20)16-11-13-17(28-6)14-12-16/h7-14H,1-6H3.
What are the key properties of N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide?
N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 102440445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).