(4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

C25H25NO2 — CID 45270409

IUPAC(4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-4-16-26-17(3)24(21-12-8-9-13-22(21)26)25(27)20-14-15-23(28-5-2)19-11-7-6-10-18(19)20/h6-15H,4-5,16H2,1-3H3
InChIKeyUOQYTDWXUDZRMX-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.14
Rot. Bonds6

About (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

(4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (PubChem CID 45270409) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
PubChem CID45270409
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-4-16-26-17(3)24(21-12-8-9-13-22(21)26)25(27)20-14-15-23(28-5-2)19-11-7-6-10-18(19)20/h6-15H,4-5,16H2,1-3H3
InChIKeyUOQYTDWXUDZRMX-UHFFFAOYSA-N
XLogP6.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The IUPAC name of (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (CID 45270409) is (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The canonical SMILES for (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is CCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The InChIKey is UOQYTDWXUDZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-4-16-26-17(3)24(21-12-8-9-13-22(21)26)25(27)20-14-15-23(28-5-2)19-11-7-6-10-18(19)20/h6-15H,4-5,16H2,1-3H3.
What are the key properties of (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
(4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxynaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is sourced from PubChem (CID 45270409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).