3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide

C19H22N2O4 — CID 110729223

IUPAC3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)N(C)CC3)cc(OC)c1OC
InChIInChI=1S/C19H22N2O4/c1-21-8-7-12-5-6-14(11-15(12)21)20-19(22)13-9-16(23-2)18(25-4)17(10-13)24-3/h5-6,9-11H,7-8H2,1-4H3,(H,20,22)
InChIKeyHADNTUHMIJIPPR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.96
Rot. Bonds5

About 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide

3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide (PubChem CID 110729223) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide
PubChem CID110729223
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)N(C)CC3)cc(OC)c1OC
InChIInChI=1S/C19H22N2O4/c1-21-8-7-12-5-6-14(11-15(12)21)20-19(22)13-9-16(23-2)18(25-4)17(10-13)24-3/h5-6,9-11H,7-8H2,1-4H3,(H,20,22)
InChIKeyHADNTUHMIJIPPR-UHFFFAOYSA-N
XLogP2.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[11-[2-(4-methylpiperazin-1-yl)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]benzamide;dihydrochloride
CID 44660576
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
CID 1377912
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429
2-iodo-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
CID 2974192

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide (CID 110729223) is 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide is COc1cc(C(=O)Nc2ccc3c(c2)N(C)CC3)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide?
The InChIKey is HADNTUHMIJIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21-8-7-12-5-6-14(11-15(12)21)20-19(22)13-9-16(23-2)18(25-4)17(10-13)24-3/h5-6,9-11H,7-8H2,1-4H3,(H,20,22).
What are the key properties of 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide?
3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide is sourced from PubChem (CID 110729223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).