(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

C26H27NO2 — CID 45272116

IUPAC(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)25(22-13-8-9-14-23(22)27)26(28)21-15-16-24(29-3)20-12-7-6-11-19(20)21/h6-9,11-16H,4-5,10,17H2,1-3H3
InChIKeyCNTCHEBQQFICNR-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.53
Rot. Bonds7

About (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (PubChem CID 45272116) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
PubChem CID45272116
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)25(22-13-8-9-14-23(22)27)26(28)21-15-16-24(29-3)20-12-7-6-11-19(20)21/h6-9,11-16H,4-5,10,17H2,1-3H3
InChIKeyCNTCHEBQQFICNR-UHFFFAOYSA-N
XLogP6.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.53
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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Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (CID 45272116) is (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is CCCCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The InChIKey is CNTCHEBQQFICNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)25(22-13-8-9-14-23(22)27)26(28)21-15-16-24(29-3)20-12-7-6-11-19(20)21/h6-9,11-16H,4-5,10,17H2,1-3H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
(4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is sourced from PubChem (CID 45272116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).