4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide

C19H20N2O4 — CID 113206778

IUPAC4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)N(C)c3ccccc3)c2c(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21(12-8-6-5-7-9-12)19(22)13-11-20-14-10-15(23-2)17(24-3)18(25-4)16(13)14/h5-11,20H,1-4H3
InChIKeyOIWYWDIGCGYPJD-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.47
Rot. Bonds5

About 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide

4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide (PubChem CID 113206778) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
PubChem CID113206778
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)N(C)c3ccccc3)c2c(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-21(12-8-6-5-7-9-12)19(22)13-11-20-14-10-15(23-2)17(24-3)18(25-4)16(13)14/h5-11,20H,1-4H3
InChIKeyOIWYWDIGCGYPJD-UHFFFAOYSA-N
XLogP3.47
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206750
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
CID 113206791
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
6-bromo-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 141109801
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide (CID 113206778) is 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)N(C)c3ccccc3)c2c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide?
The InChIKey is OIWYWDIGCGYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(12-8-6-5-7-9-12)19(22)13-11-20-14-10-15(23-2)17(24-3)18(25-4)16(13)14/h5-11,20H,1-4H3.
What are the key properties of 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide?
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 113206778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).