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

C27H29NO — CID 45268702

IUPAC(1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H29NO/c1-3-5-10-18-28-19-25(23-14-8-9-15-26(23)28)27(29)24-17-16-20(11-4-2)21-12-6-7-13-22(21)24/h6-9,12-17,19H,3-5,10-11,18H2,1-2H3
InChIKeyAKGUMDFQXWZHHS-UHFFFAOYSA-N
MW383.54 g/mol
LogP7.17
Rot. Bonds8

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

(1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone (PubChem CID 45268702) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
PubChem CID45268702
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name(1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H29NO/c1-3-5-10-18-28-19-25(23-14-8-9-15-26(23)28)27(29)24-17-16-20(11-4-2)21-12-6-7-13-22(21)24/h6-9,12-17,19H,3-5,10-11,18H2,1-2H3
InChIKeyAKGUMDFQXWZHHS-UHFFFAOYSA-N
XLogP7.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Jwh-200
CID 10045570
Xlr 11
CID 57501498
Jwh 015
CID 4273754
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
Jwh 307
CID 16049783
Jwh 203
CID 44397500

Frequently Asked Questions

What is the IUPAC name of (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
The IUPAC name of (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone (CID 45268702) is (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone.
What is the SMILES notation for (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
The canonical SMILES for (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone is CCCCCn1cc(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc21.
What is the InChIKey of (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
The InChIKey is AKGUMDFQXWZHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-3-5-10-18-28-19-25(23-14-8-9-15-26(23)28)27(29)24-17-16-20(11-4-2)21-12-6-7-13-22(21)24/h6-9,12-17,19H,3-5,10-11,18H2,1-2H3.
What are the key properties of (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone?
(1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone has a molecular weight of 383.54 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone is sourced from PubChem (CID 45268702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).