1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone

C24H26N2O4 — CID 21084608

IUPAC1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone
SMILESCCN(CC)Cc1ccc(C(=O)c2c(O)n(C(C)=O)c3ccc(C(C)=O)cc23)cc1
InChIInChI=1S/C24H26N2O4/c1-5-25(6-2)14-17-7-9-18(10-8-17)23(29)22-20-13-19(15(3)27)11-12-21(20)26(16(4)28)24(22)30/h7-13,30H,5-6,14H2,1-4H3
InChIKeyOAOHNQJYPJRIEP-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.28
Rot. Bonds7

About 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone

1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone (PubChem CID 21084608) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone
PubChem CID21084608
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone
SMILESCCN(CC)Cc1ccc(C(=O)c2c(O)n(C(C)=O)c3ccc(C(C)=O)cc23)cc1
InChIInChI=1S/C24H26N2O4/c1-5-25(6-2)14-17-7-9-18(10-8-17)23(29)22-20-13-19(15(3)27)11-12-21(20)26(16(4)28)24(22)30/h7-13,30H,5-6,14H2,1-4H3
InChIKeyOAOHNQJYPJRIEP-UHFFFAOYSA-N
XLogP4.28
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone?
The IUPAC name of 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone (CID 21084608) is 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone?
The canonical SMILES for 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone is CCN(CC)Cc1ccc(C(=O)c2c(O)n(C(C)=O)c3ccc(C(C)=O)cc23)cc1.
What is the InChIKey of 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone?
The InChIKey is OAOHNQJYPJRIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-5-25(6-2)14-17-7-9-18(10-8-17)23(29)22-20-13-19(15(3)27)11-12-21(20)26(16(4)28)24(22)30/h7-13,30H,5-6,14H2,1-4H3.
What are the key properties of 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone?
1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone has a molecular weight of 406.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-acetyl-3-[4-(diethylaminomethyl)benzoyl]-2-hydroxyindol-5-yl]ethanone is sourced from PubChem (CID 21084608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).