N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide

C26H26N2O4 — CID 4898664

IUPACN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc2c(CCNC(=O)c3ccc(COc4ccccc4OC)cc3)c[nH]c2c1
InChIInChI=1S/C26H26N2O4/c1-30-21-11-12-22-20(16-28-23(22)15-21)13-14-27-26(29)19-9-7-18(8-10-19)17-32-25-6-4-3-5-24(25)31-2/h3-12,15-16,28H,13-14,17H2,1-2H3,(H,27,29)
InChIKeyNKUHIQPVMPRMFG-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.74
Rot. Bonds9

About N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide (PubChem CID 4898664) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
PubChem CID4898664
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc2c(CCNC(=O)c3ccc(COc4ccccc4OC)cc3)c[nH]c2c1
InChIInChI=1S/C26H26N2O4/c1-30-21-11-12-22-20(16-28-23(22)15-21)13-14-27-26(29)19-9-7-18(8-10-19)17-32-25-6-4-3-5-24(25)31-2/h3-12,15-16,28H,13-14,17H2,1-2H3,(H,27,29)
InChIKeyNKUHIQPVMPRMFG-UHFFFAOYSA-N
XLogP4.74
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117178684
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4900829
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide (CID 4898664) is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide is COc1ccc2c(CCNC(=O)c3ccc(COc4ccccc4OC)cc3)c[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide?
The InChIKey is NKUHIQPVMPRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-30-21-11-12-22-20(16-28-23(22)15-21)13-14-27-26(29)19-9-7-18(8-10-19)17-32-25-6-4-3-5-24(25)31-2/h3-12,15-16,28H,13-14,17H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide?
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide has a molecular weight of 430.50 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 4898664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).