15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one

C25H41NO3 — CID 10573249

IUPAC15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
SMILESO=C(CCCCCCCCCCCCCCc1ccc(O)c(O)c1)N1CCCC1
InChIInChI=1S/C25H41NO3/c27-23-18-17-22(21-24(23)28)15-11-9-7-5-3-1-2-4-6-8-10-12-16-25(29)26-19-13-14-20-26/h17-18,21,27-28H,1-16,19-20H2
InChIKeySAMHFKYTKAGTDL-UHFFFAOYSA-N
MW403.61 g/mol
LogP6.33
Rot. Bonds15

About 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one

15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one (PubChem CID 10573249) has the molecular formula C25H41NO3 and a molecular weight of 403.61 g/mol. Its IUPAC name is 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one.

Molecular Properties

Compound Name15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
PubChem CID10573249
Molecular FormulaC25H41NO3
Molecular Weight403.61 g/mol
Exact Mass403.31
IUPAC Name15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
SMILESO=C(CCCCCCCCCCCCCCc1ccc(O)c(O)c1)N1CCCC1
InChIInChI=1S/C25H41NO3/c27-23-18-17-22(21-24(23)28)15-11-9-7-5-3-1-2-4-6-8-10-12-16-25(29)26-19-13-14-20-26/h17-18,21,27-28H,1-16,19-20H2
InChIKeySAMHFKYTKAGTDL-UHFFFAOYSA-N
XLogP6.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpentan-1-one
CID 10468638
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
CID 155562244
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one
CID 67900368
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
4-[5-(4-methylphenyl)pentanoyl]-1,4-diazepane-1-carboxamide
CID 56826505

Frequently Asked Questions

What is the IUPAC name of 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
The IUPAC name of 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one (CID 10573249) is 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one.
What is the SMILES notation for 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
The canonical SMILES for 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one is O=C(CCCCCCCCCCCCCCc1ccc(O)c(O)c1)N1CCCC1.
What is the InChIKey of 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
The InChIKey is SAMHFKYTKAGTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO3/c27-23-18-17-22(21-24(23)28)15-11-9-7-5-3-1-2-4-6-8-10-12-16-25(29)26-19-13-14-20-26/h17-18,21,27-28H,1-16,19-20H2.
What are the key properties of 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one has a molecular weight of 403.61 g/mol, XLogP of 6.33, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3,4-dihydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one is sourced from PubChem (CID 10573249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).