3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one

C20H23NO2 — CID 13221616

IUPAC3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
SMILESCC(C)N(C(C)C)C1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-14(2)21(15(3)4)20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)19(22)23-20/h5-15H,1-4H3
InChIKeyPZUOISAXUSBCHW-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.18
Rot. Bonds4

About 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one

3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one (PubChem CID 13221616) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
PubChem CID13221616
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
SMILESCC(C)N(C(C)C)C1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-14(2)21(15(3)4)20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)19(22)23-20/h5-15H,1-4H3
InChIKeyPZUOISAXUSBCHW-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
1,1,3,3-tetramethyl-2-(3-oxo-1-phenyl-2-benzofuran-1-yl)guanidine
CID 177459965
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one
CID 139129040
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
3-chloro-3-(dichloromethyl)-2-benzofuran-1-one
CID 86120030
N-(benzenesulfonyl)-N-[[(1S)-3-oxo-1-phenyl-2-benzofuran-1-yl]methyl]benzenesulfonamide
CID 155935374
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
CID 24971517
3,3-dinitro-2-benzofuran-1-one
CID 174737679
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one?
The IUPAC name of 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one (CID 13221616) is 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one is CC(C)N(C(C)C)C1(c2ccccc2)OC(=O)c2ccccc21.
What is the InChIKey of 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one?
The InChIKey is PZUOISAXUSBCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)21(15(3)4)20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)19(22)23-20/h5-15H,1-4H3.
What are the key properties of 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one?
3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one has a molecular weight of 309.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 13221616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).