4-tert-butyl-N-(1-methylindol-5-yl)benzamide

C20H22N2O — CID 70990201

IUPAC4-tert-butyl-N-(1-methylindol-5-yl)benzamide
SMILESCn1ccc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C20H22N2O/c1-20(2,3)16-7-5-14(6-8-16)19(23)21-17-9-10-18-15(13-17)11-12-22(18)4/h5-13H,1-4H3,(H,21,23)
InChIKeyMXLKJMUVTNCIJT-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.73
Rot. Bonds2

About 4-tert-butyl-N-(1-methylindol-5-yl)benzamide

4-tert-butyl-N-(1-methylindol-5-yl)benzamide (PubChem CID 70990201) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methylindol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methylindol-5-yl)benzamide
PubChem CID70990201
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-tert-butyl-N-(1-methylindol-5-yl)benzamide
SMILESCn1ccc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C20H22N2O/c1-20(2,3)16-7-5-14(6-8-16)19(23)21-17-9-10-18-15(13-17)11-12-22(18)4/h5-13H,1-4H3,(H,21,23)
InChIKeyMXLKJMUVTNCIJT-UHFFFAOYSA-N
XLogP4.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylindol-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811456
3-methoxy-N-(1-methylindol-5-yl)benzamide
CID 110867789
1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)indole-5-carboxamide
CID 112523570
3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110838357
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
2-methyl-2-(1-methylindol-5-yl)propanoic acid
CID 115114970
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
methyl 2-[(1-methylindol-5-yl)amino]acetate
CID 82539684
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
CID 110838398
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methylindol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1-methylindol-5-yl)benzamide (CID 70990201) is 4-tert-butyl-N-(1-methylindol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1-methylindol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1-methylindol-5-yl)benzamide is Cn1ccc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of 4-tert-butyl-N-(1-methylindol-5-yl)benzamide?
The InChIKey is MXLKJMUVTNCIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-20(2,3)16-7-5-14(6-8-16)19(23)21-17-9-10-18-15(13-17)11-12-22(18)4/h5-13H,1-4H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-(1-methylindol-5-yl)benzamide?
4-tert-butyl-N-(1-methylindol-5-yl)benzamide has a molecular weight of 306.41 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methylindol-5-yl)benzamide is sourced from PubChem (CID 70990201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).