N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C25H28N4O4 — CID 16835973

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCCCc1nnc(-c2cc3ccccc3n2CC(=O)NCCc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C25H28N4O4/c1-4-7-24-27-28-25(33-24)20-15-18-8-5-6-9-19(18)29(20)16-23(30)26-13-12-17-10-11-21(31-2)22(14-17)32-3/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,26,30)
InChIKeySIOSDCADWBQQPQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.02
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 16835973) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID16835973
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCCCc1nnc(-c2cc3ccccc3n2CC(=O)NCCc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C25H28N4O4/c1-4-7-24-27-28-25(33-24)20-15-18-8-5-6-9-19(18)29(20)16-23(30)26-13-12-17-10-11-21(31-2)22(14-17)32-3/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,26,30)
InChIKeySIOSDCADWBQQPQ-UHFFFAOYSA-N
XLogP4.02
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-phenylethyl)acetamide
CID 26842276
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
N-(5-chloro-2-methoxyphenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835956
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55684452
N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835967
2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
CID 41160183
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 16675065
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925514
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 18104619
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-fluorophenyl)acetamide
CID 26842253
benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 40693804

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 16835973) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is CCCc1nnc(-c2cc3ccccc3n2CC(=O)NCCc2ccc(OC)c(OC)c2)o1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is SIOSDCADWBQQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-4-7-24-27-28-25(33-24)20-15-18-8-5-6-9-19(18)29(20)16-23(30)26-13-12-17-10-11-21(31-2)22(14-17)32-3/h5-6,8-11,14-15H,4,7,12-13,16H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 16835973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).