3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide

C24H27N3O5 — CID 24506179

About 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide

3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide (PubChem CID 24506179) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide
• PubChem CID: 24506179
• Molecular Formula: C24H27N3O5
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.20
• IUPAC Name: 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide
• SMILES: Cc1cccc(C(=O)NCCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)c1
• InChI: InChI=1S/C24H27N3O5/c1-17-5-4-6-18(15-17)23(29)25-10-9-22(28)27-16-21(24(30)26-11-13-31-14-12-26)32-20-8-3-2-7-19(20)27/h2-8,15,21H,9-14,16H2,1H3,(H,25,29)
• InChIKey: HGVCQEKIDGEKCF-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide?

The IUPAC name of 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide (CID 24506179) is 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide.

What is the SMILES notation for 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide?

The canonical SMILES for 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide is Cc1cccc(C(=O)NCCC(=O)N2CC(C(=O)N3CCOCC3)Oc3ccccc32)c1.

What is the InChIKey of 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide?

The InChIKey is HGVCQEKIDGEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-17-5-4-6-18(15-17)23(29)25-10-9-22(28)27-16-21(24(30)26-11-13-31-14-12-26)32-20-8-3-2-7-19(20)27/h2-8,15,21H,9-14,16H2,1H3,(H,25,29).

What are the key properties of 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide?

3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 24506179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).