[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone

C24H24N2O — CID 155516632

IUPAC[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESNCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H24N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16,25H2
InChIKeyIQOUXBLJAMHPRE-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.15
Rot. Bonds7

About [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone

[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 155516632) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
PubChem CID155516632
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
SMILESNCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H24N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16,25H2
InChIKeyIQOUXBLJAMHPRE-UHFFFAOYSA-N
XLogP5.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193
[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 91713112
[1-(2,2,3,3,4,4,4-heptadeuteriobutyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 53394763
[1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-naphthalen-1-ylmethanone
CID 91744220
(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
[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 125181380
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582

Frequently Asked Questions

What is the IUPAC name of [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone (CID 155516632) is [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone is NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is IQOUXBLJAMHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16,25H2.
What are the key properties of [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone?
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 356.47 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 155516632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).