N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide

C21H24N2O4 — CID 142886342

IUPACN-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)cc3c2)cc(OC)c1O
InChIInChI=1S/C21H24N2O4/c1-21(2,3)18-11-12-8-14(6-7-15(12)23-18)22-20(25)13-9-16(26-4)19(24)17(10-13)27-5/h6-11,23-24H,1-5H3,(H,22,25)
InChIKeyGCOYTHMJTWMNMX-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.44
Rot. Bonds4

About N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide

N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide (PubChem CID 142886342) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide
PubChem CID142886342
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)cc3c2)cc(OC)c1O
InChIInChI=1S/C21H24N2O4/c1-21(2,3)18-11-12-8-14(6-7-15(12)23-18)22-20(25)13-9-16(26-4)19(24)17(10-13)27-5/h6-11,23-24H,1-5H3,(H,22,25)
InChIKeyGCOYTHMJTWMNMX-UHFFFAOYSA-N
XLogP4.44
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444
3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
CID 15990360
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide
CID 110476896
N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
CID 114840582
4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
CID 46467596
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
2-fluoro-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzamide
CID 86929101
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide (CID 142886342) is N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)cc3c2)cc(OC)c1O.
What is the InChIKey of N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide?
The InChIKey is GCOYTHMJTWMNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2,3)18-11-12-8-14(6-7-15(12)23-18)22-20(25)13-9-16(26-4)19(24)17(10-13)27-5/h6-11,23-24H,1-5H3,(H,22,25).
What are the key properties of N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide?
N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide has a molecular weight of 368.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide is sourced from PubChem (CID 142886342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).