2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one

C23H26N2O4 — CID 1450878

IUPAC2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CCc2ccccc2)C1=O
InChIInChI=1S/C23H26N2O4/c1-23(2)22(27)25(11-10-17-6-4-3-5-7-17)19-16-18(8-9-20(19)29-23)21(26)24-12-14-28-15-13-24/h3-9,16H,10-15H2,1-2H3
InChIKeyDBBAMAXPJGSAEO-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.91
Rot. Bonds4

About 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one

2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one (PubChem CID 1450878) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one
PubChem CID1450878
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one
SMILESCC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CCc2ccccc2)C1=O
InChIInChI=1S/C23H26N2O4/c1-23(2)22(27)25(11-10-17-6-4-3-5-7-17)19-16-18(8-9-20(19)29-23)21(26)24-12-14-28-15-13-24/h3-9,16H,10-15H2,1-2H3
InChIKeyDBBAMAXPJGSAEO-UHFFFAOYSA-N
XLogP2.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one (CID 1450878) is 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one is CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CCc2ccccc2)C1=O.
What is the InChIKey of 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one?
The InChIKey is DBBAMAXPJGSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(2)22(27)25(11-10-17-6-4-3-5-7-17)19-16-18(8-9-20(19)29-23)21(26)24-12-14-28-15-13-24/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one?
2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one has a molecular weight of 394.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 1450878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).