N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C23H21N3O4 — CID 9145472

About N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 9145472) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
• PubChem CID: 9145472
• Molecular Formula: C23H21N3O4
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.15
• IUPAC Name: N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
• SMILES: C[C@H]1Oc2ccc(NC(=O)CNC(=O)Cc3cccc4ccccc34)cc2NC1=O
• InChI: InChI=1S/C23H21N3O4/c1-14-23(29)26-19-12-17(9-10-20(19)30-14)25-22(28)13-24-21(27)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t14-/m1/s1
• InChIKey: DHNLKOIYONTZGA-CQSZACIVSA-N
• XLogP: 2.86
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 9145472) is N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is C[C@H]1Oc2ccc(NC(=O)CNC(=O)Cc3cccc4ccccc34)cc2NC1=O.

What is the InChIKey of N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The InChIKey is DHNLKOIYONTZGA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-23(29)26-19-12-17(9-10-20(19)30-14)25-22(28)13-24-21(27)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t14-/m1/s1.

What are the key properties of N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 403.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9145472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).