4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one

C18H24N2O4 — CID 75807562

IUPAC4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
SMILESCC1CN(C(=O)CCN2C(=O)C(C)Oc3ccccc32)C(C)CO1
InChIInChI=1S/C18H24N2O4/c1-12-11-23-13(2)10-20(12)17(21)8-9-19-15-6-4-5-7-16(15)24-14(3)18(19)22/h4-7,12-14H,8-11H2,1-3H3
InChIKeyACZHUUGFSJRGEY-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.83
Rot. Bonds3

About 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one

4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one (PubChem CID 75807562) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
PubChem CID75807562
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
SMILESCC1CN(C(=O)CCN2C(=O)C(C)Oc3ccccc32)C(C)CO1
InChIInChI=1S/C18H24N2O4/c1-12-11-23-13(2)10-20(12)17(21)8-9-19-15-6-4-5-7-16(15)24-14(3)18(19)22/h4-7,12-14H,8-11H2,1-3H3
InChIKeyACZHUUGFSJRGEY-UHFFFAOYSA-N
XLogP1.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one (CID 75807562) is 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one is CC1CN(C(=O)CCN2C(=O)C(C)Oc3ccccc32)C(C)CO1.
What is the InChIKey of 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one?
The InChIKey is ACZHUUGFSJRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-11-23-13(2)10-20(12)17(21)8-9-19-15-6-4-5-7-16(15)24-14(3)18(19)22/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one?
4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one has a molecular weight of 332.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 75807562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).