N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide

C26H26N2O3 — CID 55395701

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)ccc2OC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H26N2O3/c1-17-8-13-25(31-3)21(14-17)26(29)28-15-22(18-9-11-19(30-2)12-10-18)23-16-27-24-7-5-4-6-20(23)24/h4-14,16,22,27H,15H2,1-3H3,(H,28,29)
InChIKeyWSGRPMFONJCMRH-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.06
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide (PubChem CID 55395701) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
PubChem CID55395701
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)ccc2OC)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H26N2O3/c1-17-8-13-25(31-3)21(14-17)26(29)28-15-22(18-9-11-19(30-2)12-10-18)23-16-27-24-7-5-4-6-20(23)24/h4-14,16,22,27H,15H2,1-3H3,(H,28,29)
InChIKeyWSGRPMFONJCMRH-UHFFFAOYSA-N
XLogP5.06
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.06
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-methoxybenzamide
CID 17014418
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
2-(difluoromethoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 55343782
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
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
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide (CID 55395701) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide is COc1ccc(C(CNC(=O)c2cc(C)ccc2OC)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide?
The InChIKey is WSGRPMFONJCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17-8-13-25(31-3)21(14-17)26(29)28-15-22(18-9-11-19(30-2)12-10-18)23-16-27-24-7-5-4-6-20(23)24/h4-14,16,22,27H,15H2,1-3H3,(H,28,29).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide has a molecular weight of 414.51 g/mol, XLogP of 5.06, 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-methoxy-5-methylbenzamide is sourced from PubChem (CID 55395701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).