2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide

C29H30N2O5 — CID 25096671

IUPAC2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
SMILESCOc1ccc(CC(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H30N2O5/c1-18-25-16-22(12-15-24(25)26(32)36-31-18)30-27(33)29(34,17-19-6-13-23(35-5)14-7-19)21-10-8-20(9-11-21)28(2,3)4/h6-16,34H,17H2,1-5H3,(H,30,33)
InChIKeyGEUWCYVUSRISNV-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.87
Rot. Bonds6

About 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide

2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide (PubChem CID 25096671) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
PubChem CID25096671
Molecular FormulaC29H30N2O5
Molecular Weight486.57 g/mol
Exact Mass486.22
IUPAC Name2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
SMILESCOc1ccc(CC(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H30N2O5/c1-18-25-16-22(12-15-24(25)26(32)36-31-18)30-27(33)29(34,17-19-6-13-23(35-5)14-7-19)21-10-8-20(9-11-21)28(2,3)4/h6-16,34H,17H2,1-5H3,(H,30,33)
InChIKeyGEUWCYVUSRISNV-UHFFFAOYSA-N
XLogP4.87
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyanophenyl)-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 25095652
2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylphenyl)-2-phenylacetamide
CID 71027221
2-hydroxy-4,4-dimethyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(4-methylphenyl)methyl]pentanamide
CID 25099242
2-cyclohexyl-2-hydroxy-4-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)but-3-ynamide
CID 42642077
4-(2-chloro-4-fluorophenyl)-2-hydroxy-2-[2-(4-methoxyphenyl)ethynyl]-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pentanamide
CID 58794014
(E)-2-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-(3-methylphenyl)prop-2-enamide
CID 173488436
2-[(2-chlorophenyl)methyl]-2-hydroxy-4-(2-methoxyphenyl)-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)pentanamide
CID 90889727
3,3,3-trifluoro-2-hydroxy-2-[[1-(3-hydroxy-2-methoxyphenyl)cyclopropyl]methyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
CID 142913774
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 73213311
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 99873792

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide (CID 25096671) is 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide is COc1ccc(CC(O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide?
The InChIKey is GEUWCYVUSRISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-18-25-16-22(12-15-24(25)26(32)36-31-18)30-27(33)29(34,17-19-6-13-23(35-5)14-7-19)21-10-8-20(9-11-21)28(2,3)4/h6-16,34H,17H2,1-5H3,(H,30,33).
What are the key properties of 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide?
2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide has a molecular weight of 486.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-hydroxy-3-(4-methoxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 25096671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).