2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide

C26H23F3N2O4 — CID 172815430

IUPAC2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide
SMILESCc1noc(=O)c2cccc(NC(=O)C(O)(CC(C)(C)c3cccc4ccccc34)C(F)(F)F)c12
InChIInChI=1S/C26H23F3N2O4/c1-15-21-18(22(32)35-31-15)11-7-13-20(21)30-23(33)25(34,26(27,28)29)14-24(2,3)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,34H,14H2,1-3H3,(H,30,33)
InChIKeySSZRKEXKUWMYNY-UHFFFAOYSA-N
MW484.47 g/mol
LogP5.25
Rot. Bonds5

About 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide

2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide (PubChem CID 172815430) has the molecular formula C26H23F3N2O4 and a molecular weight of 484.47 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide
PubChem CID172815430
Molecular FormulaC26H23F3N2O4
Molecular Weight484.47 g/mol
Exact Mass484.16
IUPAC Name2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide
SMILESCc1noc(=O)c2cccc(NC(=O)C(O)(CC(C)(C)c3cccc4ccccc34)C(F)(F)F)c12
InChIInChI=1S/C26H23F3N2O4/c1-15-21-18(22(32)35-31-15)11-7-13-20(21)30-23(33)25(34,26(27,28)29)14-24(2,3)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,34H,14H2,1-3H3,(H,30,33)
InChIKeySSZRKEXKUWMYNY-UHFFFAOYSA-N
XLogP5.25
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-fluoro-2-(methanesulfonamido)phenyl]-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
CID 10209262
4-(2,3-difluorophenyl)-2-hydroxy-4-methyl-N-(1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
CID 10204596
5-amino-6-[4-[5-fluoro-2-(trifluoromethyl)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]-4-methyl-2,3-benzoxazin-1-one
CID 87870289
2-[(N,2-dimethylanilino)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
CID 42628935
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
4-(2-bromo-3,5-difluorophenyl)-2-hydroxy-4-methyl-N-(1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
CID 10119454
3,3,3-trifluoro-2-hydroxy-2-(3H-inden-1-ylmethyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
CID 11212571
4-(4-bromo-2-methoxyphenyl)-2-hydroxy-4-methyl-N-quinolin-5-yl-2-(trifluoromethyl)pentanamide;4-(4-bromo-2-methoxyphenyl)-4-methyl-2-oxo-N-quinolin-5-ylpentanamide
CID 141232899
4-(2,6-difluorophenyl)-2-fluoro-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)hexanamide
CID 23518460
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide (CID 172815430) is 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide is Cc1noc(=O)c2cccc(NC(=O)C(O)(CC(C)(C)c3cccc4ccccc34)C(F)(F)F)c12.
What is the InChIKey of 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide?
The InChIKey is SSZRKEXKUWMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O4/c1-15-21-18(22(32)35-31-15)11-7-13-20(21)30-23(33)25(34,26(27,28)29)14-24(2,3)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,34H,14H2,1-3H3,(H,30,33).
What are the key properties of 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide?
2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide has a molecular weight of 484.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-5-yl)-4-naphthalen-1-yl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 172815430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).