N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide

C22H26N2O4 — CID 6498751

IUPACN-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc2cc(C)ccc21
InChIInChI=1S/C22H26N2O4/c1-6-24-17(10-15-9-14(2)7-8-18(15)24)13-23-22(25)16-11-19(26-3)21(28-5)20(12-16)27-4/h7-12H,6,13H2,1-5H3,(H,23,25)
InChIKeyZVAWQXGMEWIPIO-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.93
Rot. Bonds7

About N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide

N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 6498751) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID6498751
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc2cc(C)ccc21
InChIInChI=1S/C22H26N2O4/c1-6-24-17(10-15-9-14(2)7-8-18(15)24)13-23-22(25)16-11-19(26-3)21(28-5)20(12-16)27-4/h7-12H,6,13H2,1-5H3,(H,23,25)
InChIKeyZVAWQXGMEWIPIO-UHFFFAOYSA-N
XLogP3.93
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

TG4-155
CID 5886965
(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 17756418
[3-(1H-indol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 57731074
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
CID 71604853
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 787253
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-3-methoxybenzamide
CID 5064384
3,4,5-trimethoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 1535126
N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 3267796
3-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549486
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4868821
4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 4870182

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide (CID 6498751) is N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide is CCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc2cc(C)ccc21.
What is the InChIKey of N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ZVAWQXGMEWIPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-6-24-17(10-15-9-14(2)7-8-18(15)24)13-23-22(25)16-11-19(26-3)21(28-5)20(12-16)27-4/h7-12H,6,13H2,1-5H3,(H,23,25).
What are the key properties of N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylindol-2-yl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 6498751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).