N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide

C25H25N3O4 — CID 128963531

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCOc1ccc(C(CNC(=O)COc2c[nH]c(C)cc2=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25N3O4/c1-16-11-23(29)24(14-26-16)32-15-25(30)28-12-20(17-7-9-18(31-2)10-8-17)21-13-27-22-6-4-3-5-19(21)22/h3-11,13-14,20,27H,12,15H2,1-2H3,(H,26,29)(H,28,30)
InChIKeyHUMKLFGNQDBPJX-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.50
Rot. Bonds8

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (PubChem CID 128963531) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
PubChem CID128963531
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCOc1ccc(C(CNC(=O)COc2c[nH]c(C)cc2=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25N3O4/c1-16-11-23(29)24(14-26-16)32-15-25(30)28-12-20(17-7-9-18(31-2)10-8-17)21-13-27-22-6-4-3-5-19(21)22/h3-11,13-14,20,27H,12,15H2,1-2H3,(H,26,29)(H,28,30)
InChIKeyHUMKLFGNQDBPJX-UHFFFAOYSA-N
XLogP3.50
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 35129166
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 35123864
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129958
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289695
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (CID 128963531) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is COc1ccc(C(CNC(=O)COc2c[nH]c(C)cc2=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The InChIKey is HUMKLFGNQDBPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-11-23(29)24(14-26-16)32-15-25(30)28-12-20(17-7-9-18(31-2)10-8-17)21-13-27-22-6-4-3-5-19(21)22/h3-11,13-14,20,27H,12,15H2,1-2H3,(H,26,29)(H,28,30).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide has a molecular weight of 431.49 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is sourced from PubChem (CID 128963531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).