N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide

C25H24N2O3 — CID 17014418

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N2O3/c1-29-18-13-11-17(12-14-18)21(22-16-26-23-9-5-3-7-19(22)23)15-27-25(28)20-8-4-6-10-24(20)30-2/h3-14,16,21,26H,15H2,1-2H3,(H,27,28)
InChIKeyGYFKQMXNPMQSTD-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.75
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide (PubChem CID 17014418) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
PubChem CID17014418
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N2O3/c1-29-18-13-11-17(12-14-18)21(22-16-26-23-9-5-3-7-19(22)23)15-27-25(28)20-8-4-6-10-24(20)30-2/h3-14,16,21,26H,15H2,1-2H3,(H,27,28)
InChIKeyGYFKQMXNPMQSTD-UHFFFAOYSA-N
XLogP4.75
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 55395701
2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 55343782
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide (CID 17014418) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide is COc1ccc(C(CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
The InChIKey is GYFKQMXNPMQSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-29-18-13-11-17(12-14-18)21(22-16-26-23-9-5-3-7-19(22)23)15-27-25(28)20-8-4-6-10-24(20)30-2/h3-14,16,21,26H,15H2,1-2H3,(H,27,28).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.75, 7 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)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 17014418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).