11-phenyl-11-pyridin-3-ylundecan-2-one

C22H29NO — CID 22444310

IUPAC11-phenyl-11-pyridin-3-ylundecan-2-one
SMILESCC(=O)CCCCCCCCC(c1ccccc1)c1cccnc1
InChIInChI=1S/C22H29NO/c1-19(24)12-7-4-2-3-5-10-16-22(20-13-8-6-9-14-20)21-15-11-17-23-18-21/h6,8-9,11,13-15,17-18,22H,2-5,7,10,12,16H2,1H3
InChIKeyAOWUBEDNYROZMT-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.92
Rot. Bonds11

About 11-phenyl-11-pyridin-3-ylundecan-2-one

11-phenyl-11-pyridin-3-ylundecan-2-one (PubChem CID 22444310) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 11-phenyl-11-pyridin-3-ylundecan-2-one.

Molecular Properties

Compound Name11-phenyl-11-pyridin-3-ylundecan-2-one
PubChem CID22444310
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name11-phenyl-11-pyridin-3-ylundecan-2-one
SMILESCC(=O)CCCCCCCCC(c1ccccc1)c1cccnc1
InChIInChI=1S/C22H29NO/c1-19(24)12-7-4-2-3-5-10-16-22(20-13-8-6-9-14-20)21-15-11-17-23-18-21/h6,8-9,11,13-15,17-18,22H,2-5,7,10,12,16H2,1H3
InChIKeyAOWUBEDNYROZMT-UHFFFAOYSA-N
XLogP5.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.92
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

4-pyridin-3-yl-4-pyridin-4-ylbutanamide
CID 174955262
2-acetyl-10,10-diphenyldecanoic acid
CID 69432252
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
3-tridecan-7-ylpyridine
CID 129119745
(2E)-3,7-dimethyl-N-(4-phenyl-4-pyridin-3-ylbutyl)octa-2,6-dien-1-amine
CID 164948672
methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate
CID 10333786
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
3-dodecan-5-ylpyridine
CID 71051175
[6-(2,5-dimethoxy-3,4,6-trimethylphenyl)-6-pyridin-3-ylhexyl] acetate
CID 14576271
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid
CID 10002506
1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea
CID 22444308

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-11-pyridin-3-ylundecan-2-one?
The IUPAC name of 11-phenyl-11-pyridin-3-ylundecan-2-one (CID 22444310) is 11-phenyl-11-pyridin-3-ylundecan-2-one.
What is the SMILES notation for 11-phenyl-11-pyridin-3-ylundecan-2-one?
The canonical SMILES for 11-phenyl-11-pyridin-3-ylundecan-2-one is CC(=O)CCCCCCCCC(c1ccccc1)c1cccnc1.
What is the InChIKey of 11-phenyl-11-pyridin-3-ylundecan-2-one?
The InChIKey is AOWUBEDNYROZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-19(24)12-7-4-2-3-5-10-16-22(20-13-8-6-9-14-20)21-15-11-17-23-18-21/h6,8-9,11,13-15,17-18,22H,2-5,7,10,12,16H2,1H3.
What are the key properties of 11-phenyl-11-pyridin-3-ylundecan-2-one?
11-phenyl-11-pyridin-3-ylundecan-2-one has a molecular weight of 323.48 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-11-pyridin-3-ylundecan-2-one is sourced from PubChem (CID 22444310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).