N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide

C19H20N2O3 — CID 9120119

IUPACN-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O3/c1-23-15-9-14(10-16(11-15)24-2)19(22)20-8-7-13-12-21-18-6-4-3-5-17(13)18/h3-6,9-12,21H,7-8H2,1-2H3,(H,20,22)
InChIKeyQDINILSJORXYNZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide

N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 9120119) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID9120119
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O3/c1-23-15-9-14(10-16(11-15)24-2)19(22)20-8-7-13-12-21-18-6-4-3-5-17(13)18/h3-6,9-12,21H,7-8H2,1-2H3,(H,20,22)
InChIKeyQDINILSJORXYNZ-UHFFFAOYSA-N
XLogP3.16
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
3-(2-amino-2-oxoethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 35559463
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391893
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109215319

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide (CID 9120119) is N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is QDINILSJORXYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-15-9-14(10-16(11-15)24-2)19(22)20-8-7-13-12-21-18-6-4-3-5-17(13)18/h3-6,9-12,21H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 9120119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).