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

C24H23NO2 — CID 45270408

IUPAC(4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-3-15-25-16-21(18-10-7-8-12-22(18)25)24(26)20-13-14-23(27-4-2)19-11-6-5-9-17(19)20/h5-14,16H,3-4,15H2,1-2H3
InChIKeyNCEVWPRTUYLBGV-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.83
Rot. Bonds6

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

(4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (PubChem CID 45270408) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
PubChem CID45270408
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-3-15-25-16-21(18-10-7-8-12-22(18)25)24(26)20-13-14-23(27-4-2)19-11-6-5-9-17(19)20/h5-14,16H,3-4,15H2,1-2H3
InChIKeyNCEVWPRTUYLBGV-UHFFFAOYSA-N
XLogP5.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
AM-630
CID 4302963
Jwh 081
CID 10547208
Jwh 250
CID 44397540
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
SR-18
CID 53394099
Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 11268746
NM-2201
CID 91864534
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398

Frequently Asked Questions

What is the IUPAC name of (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The IUPAC name of (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (CID 45270408) is (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The InChIKey is NCEVWPRTUYLBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-3-15-25-16-21(18-10-7-8-12-22(18)25)24(26)20-13-14-23(27-4-2)19-11-6-5-9-17(19)20/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of (4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
(4-ethoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone has a molecular weight of 357.45 g/mol, XLogP of 5.83, 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)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 45270408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).