2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one

C23H27NO2 — CID 67588476

IUPAC2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one
SMILESCC(C)C(C1CC=CC(=O)O1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H27NO2/c1-18(2)23(21-14-9-15-22(25)26-21)24(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-13,15,18,21,23H,14,16-17H2,1-2H3
InChIKeyLMOHDMDFHPWJTA-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.59
Rot. Bonds7

About 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one

2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one (PubChem CID 67588476) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one
PubChem CID67588476
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one
SMILESCC(C)C(C1CC=CC(=O)O1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H27NO2/c1-18(2)23(21-14-9-15-22(25)26-21)24(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-13,15,18,21,23H,14,16-17H2,1-2H3
InChIKeyLMOHDMDFHPWJTA-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one?
The IUPAC name of 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one (CID 67588476) is 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one is CC(C)C(C1CC=CC(=O)O1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one?
The InChIKey is LMOHDMDFHPWJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-18(2)23(21-14-9-15-22(25)26-21)24(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-13,15,18,21,23H,14,16-17H2,1-2H3.
What are the key properties of 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one?
2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one has a molecular weight of 349.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 67588476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).