N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide

C22H26N2O4 — CID 47027000

IUPACN-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)[nH]c2c(OC)c1OC
InChIInChI=1S/C22H26N2O4/c1-22(2,3)14-7-9-15(10-8-14)23-21(25)16-11-13-12-17(26-4)19(27-5)20(28-6)18(13)24-16/h7-12,24H,1-6H3,(H,23,25)
InChIKeyGSHCRGQMAHNQHX-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.74
Rot. Bonds5

About N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide

N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 47027000) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID47027000
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)[nH]c2c(OC)c1OC
InChIInChI=1S/C22H26N2O4/c1-22(2,3)14-7-9-15(10-8-14)23-21(25)16-11-13-12-17(26-4)19(27-5)20(28-6)18(13)24-16/h7-12,24H,1-6H3,(H,23,25)
InChIKeyGSHCRGQMAHNQHX-UHFFFAOYSA-N
XLogP4.74
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
N-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 45370022
7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
N-(4-tert-butylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 40671457
N-[4-amino-1-(2-hydroxyethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 11293471
5,6,7-trimethoxy-N-[1-(4-phenylphenyl)ethyl]-1H-indole-2-carboxamide
CID 43074909
5,6,7-trimethoxy-N-(1-naphthalen-1-ylethyl)-1H-indole-2-carboxamide
CID 77386847
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
5,6,7-trimethoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 29129962
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-5,6,7-trimethoxy-N-methyl-1H-indole-2-carboxamide
CID 43065102
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 51032771

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide (CID 47027000) is N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)[nH]c2c(OC)c1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is GSHCRGQMAHNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(2,3)14-7-9-15(10-8-14)23-21(25)16-11-13-12-17(26-4)19(27-5)20(28-6)18(13)24-16/h7-12,24H,1-6H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide?
N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 47027000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).