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

C27H29NO — CID 45268707

IUPAC(4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H29NO/c1-4-6-11-18-28-19(3)26(24-14-9-10-15-25(24)28)27(29)23-17-16-20(5-2)21-12-7-8-13-22(21)23/h7-10,12-17H,4-6,11,18H2,1-3H3
InChIKeyJAVDQKMSPNBPCK-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.09
Rot. Bonds7

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

(4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (PubChem CID 45268707) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
PubChem CID45268707
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name(4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H29NO/c1-4-6-11-18-28-19(3)26(24-14-9-10-15-25(24)28)27(29)23-17-16-20(5-2)21-12-7-8-13-22(21)23/h7-10,12-17H,4-6,11,18H2,1-3H3
InChIKeyJAVDQKMSPNBPCK-UHFFFAOYSA-N
XLogP7.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The IUPAC name of (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (CID 45268707) is (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is CCCCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The InChIKey is JAVDQKMSPNBPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-4-6-11-18-28-19(3)26(24-14-9-10-15-25(24)28)27(29)23-17-16-20(5-2)21-12-7-8-13-22(21)23/h7-10,12-17H,4-6,11,18H2,1-3H3.
What are the key properties of (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
(4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone has a molecular weight of 383.54 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is sourced from PubChem (CID 45268707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).