3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide

C20H21N3O4 — CID 26002088

About 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide

3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide (PubChem CID 26002088) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
• PubChem CID: 26002088
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
• SMILES: Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1
• InChI: InChI=1S/C20H21N3O4/c1-11-6-12(2)8-14(7-11)20(26)21-10-18(24)22-15-4-5-17-16(9-15)23-19(25)13(3)27-17/h4-9,13H,10H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)/t13-/m0/s1
• InChIKey: YDVQARBVTWFQHG-ZDUSSCGKSA-N
• XLogP: 2.39
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide (CID 26002088) is 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1.

What is the InChIKey of 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?

The InChIKey is YDVQARBVTWFQHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-11-6-12(2)8-14(7-11)20(26)21-10-18(24)22-15-4-5-17-16(9-15)23-19(25)13(3)27-17/h4-9,13H,10H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)/t13-/m0/s1.

What are the key properties of 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide?

3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 26002088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).