(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one

C23H22N2O2 — CID 1038366

IUPAC(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one
SMILESCN(C)c1ccc([C@]2(C)Oc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-23(17-13-15-18(16-14-17)24(2)3)25(19-9-5-4-6-10-19)22(26)20-11-7-8-12-21(20)27-23/h4-16H,1-3H3/t23-/m0/s1
InChIKeyDBPGSUTVZRFNEH-QHCPKHFHSA-N
MW358.44 g/mol
LogP4.66
Rot. Bonds3

About (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one

(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one (PubChem CID 1038366) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one
PubChem CID1038366
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one
SMILESCN(C)c1ccc([C@]2(C)Oc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-23(17-13-15-18(16-14-17)24(2)3)25(19-9-5-4-6-10-19)22(26)20-11-7-8-12-21(20)27-23/h4-16H,1-3H3/t23-/m0/s1
InChIKeyDBPGSUTVZRFNEH-QHCPKHFHSA-N
XLogP4.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one?
The IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one (CID 1038366) is (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one.
What is the SMILES notation for (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one?
The canonical SMILES for (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one is CN(C)c1ccc([C@]2(C)Oc3ccccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one?
The InChIKey is DBPGSUTVZRFNEH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-23(17-13-15-18(16-14-17)24(2)3)25(19-9-5-4-6-10-19)22(26)20-11-7-8-12-21(20)27-23/h4-16H,1-3H3/t23-/m0/s1.
What are the key properties of (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one?
(2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one has a molecular weight of 358.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(dimethylamino)phenyl]-2-methyl-3-phenyl-1,3-benzoxazin-4-one is sourced from PubChem (CID 1038366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).