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

C26H27NO2 — CID 45267043

IUPAC(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H27NO2/c1-3-5-10-17-27-18-23(20-12-8-9-14-24(20)27)26(28)22-15-16-25(29-4-2)21-13-7-6-11-19(21)22/h6-9,11-16,18H,3-5,10,17H2,1-2H3
InChIKeyXBWLJRIQVBWALY-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.61
Rot. Bonds8

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

(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 45267043) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID45267043
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H27NO2/c1-3-5-10-17-27-18-23(20-12-8-9-14-24(20)27)26(28)22-15-16-25(29-4-2)21-13-7-6-11-19(21)22/h6-9,11-16,18H,3-5,10,17H2,1-2H3
InChIKeyXBWLJRIQVBWALY-UHFFFAOYSA-N
XLogP6.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
(4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone
CID 95549470
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137
5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
CID 91864527
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392

Frequently Asked Questions

What is the IUPAC name of (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 45267043) is (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is XBWLJRIQVBWALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-3-5-10-17-27-18-23(20-12-8-9-14-24(20)27)26(28)22-15-16-25(29-4-2)21-13-7-6-11-19(21)22/h6-9,11-16,18H,3-5,10,17H2,1-2H3.
What are the key properties of (4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 6.61, 8 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-pentylindol-3-yl)methanone is sourced from PubChem (CID 45267043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).