13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one

C24H39NO2 — CID 11793763

IUPAC13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
SMILESCOc1ccc(CCCCCCCCCCCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C24H39NO2/c1-27-23-18-16-22(17-19-23)14-10-8-6-4-2-3-5-7-9-11-15-24(26)25-20-12-13-21-25/h16-19H,2-15,20-21H2,1H3
InChIKeyTUCIANDYQLEHMX-UHFFFAOYSA-N
MW373.58 g/mol
LogP6.15
Rot. Bonds14

About 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one

13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one (PubChem CID 11793763) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one.

Molecular Properties

Compound Name13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
PubChem CID11793763
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
SMILESCOc1ccc(CCCCCCCCCCCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C24H39NO2/c1-27-23-18-16-22(17-19-23)14-10-8-6-4-2-3-5-7-9-11-15-24(26)25-20-12-13-21-25/h16-19H,2-15,20-21H2,1H3
InChIKeyTUCIANDYQLEHMX-UHFFFAOYSA-N
XLogP6.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 56.15
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

13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
6-(4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119544131
15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
5-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297793
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-(4-methoxyphenyl)hexan-1-one;hydrochloride
CID 119622930
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
CID 110306347
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056

Frequently Asked Questions

What is the IUPAC name of 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one?
The IUPAC name of 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one (CID 11793763) is 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one.
What is the SMILES notation for 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one?
The canonical SMILES for 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one is COc1ccc(CCCCCCCCCCCCC(=O)N2CCCC2)cc1.
What is the InChIKey of 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one?
The InChIKey is TUCIANDYQLEHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-27-23-18-16-22(17-19-23)14-10-8-6-4-2-3-5-7-9-11-15-24(26)25-20-12-13-21-25/h16-19H,2-15,20-21H2,1H3.
What are the key properties of 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one?
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one has a molecular weight of 373.58 g/mol, XLogP of 6.15, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one is sourced from PubChem (CID 11793763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).