N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide

C23H25ClN2O4 — CID 19354609

IUPACN-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCOCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)Nc2cc(C)ccc2Cl)CO1
InChIInChI=1S/C23H25ClN2O4/c1-15-10-11-17(24)18(12-15)25-22(28)23(2,3)26-14-30-19(13-29-4)20(21(26)27)16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,25,28)
InChIKeyUUFIQEZTOJMZBW-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.24
Rot. Bonds6

About N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide

N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide (PubChem CID 19354609) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
PubChem CID19354609
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC NameN-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCOCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)Nc2cc(C)ccc2Cl)CO1
InChIInChI=1S/C23H25ClN2O4/c1-15-10-11-17(24)18(12-15)25-22(28)23(2,3)26-14-30-19(13-29-4)20(21(26)27)16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,25,28)
InChIKeyUUFIQEZTOJMZBW-UHFFFAOYSA-N
XLogP4.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[6-(chloromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 54494149
3-(2-chloro-5-methylanilino)-1-phenylbut-3-en-1-one
CID 2267081
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(2,5-difluorophenyl)-2-[5-(2-fluorophenyl)-6-methyl-4-oxo-2H-1,3-oxazin-3-yl]-2-methylpropanamide
CID 70292387
3-[4-(3,5-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795471
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103769557
2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid
CID 107627767
2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
CID 62488219
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
2-amino-N-(2-chloro-5-methoxyphenyl)-2-phenylpropanamide
CID 62489467
tert-butyl 4-(2-chloro-5-methylanilino)-4-oxobutanoate
CID 106812284

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide (CID 19354609) is N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide is COCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)Nc2cc(C)ccc2Cl)CO1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The InChIKey is UUFIQEZTOJMZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-15-10-11-17(24)18(12-15)25-22(28)23(2,3)26-14-30-19(13-29-4)20(21(26)27)16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,25,28).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide has a molecular weight of 428.92 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 19354609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).