6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide

C19H20N2O2 — CID 113205404

IUPAC6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H20N2O2/c1-12-16-10-9-15(23-3)11-17(16)21-18(12)19(22)20-13(2)14-7-5-4-6-8-14/h4-11,13,21H,1-3H3,(H,20,22)
InChIKeyGLVIEPNFHOYZMU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.98
Rot. Bonds4

About 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide

6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 113205404) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
PubChem CID113205404
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H20N2O2/c1-12-16-10-9-15(23-3)11-17(16)21-18(12)19(22)20-13(2)14-7-5-4-6-8-14/h4-11,13,21H,1-3H3,(H,20,22)
InChIKeyGLVIEPNFHOYZMU-UHFFFAOYSA-N
XLogP3.98
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
ethyl 2-(6-methoxy-3-methyl-1H-indol-2-yl)-2-oxoacetate
CID 115072762
5-chloro-3-iodo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 58475128
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
CID 113212714
3-(4-methoxyphenyl)-4-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 20803221
4-(6-methoxy-3-methyl-1H-indole-2-carbonyl)piperazine-1-carbaldehyde
CID 113205397

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide (CID 113205404) is 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide is COc1ccc2c(C)c(C(=O)NC(C)c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is GLVIEPNFHOYZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-16-10-9-15(23-3)11-17(16)21-18(12)19(22)20-13(2)14-7-5-4-6-8-14/h4-11,13,21H,1-3H3,(H,20,22).
What are the key properties of 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide?
6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113205404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).