N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

C22H26N2O5 — CID 170512674

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C22H26N2O5/c1-12(2)6-8-16-10-13(3)19(22(27)29-16)20(25)23-15-7-9-18-17(11-15)24(5)21(26)14(4)28-18/h7,9-12,14H,6,8H2,1-5H3,(H,23,25)
InChIKeyGEZPARDZZVOZTO-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.53
Rot. Bonds5

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (PubChem CID 170512674) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
PubChem CID170512674
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)O2
InChIInChI=1S/C22H26N2O5/c1-12(2)6-8-16-10-13(3)19(22(27)29-16)20(25)23-15-7-9-18-17(11-15)24(5)21(26)14(4)28-18/h7,9-12,14H,6,8H2,1-5H3,(H,23,25)
InChIKeyGEZPARDZZVOZTO-UHFFFAOYSA-N
XLogP3.53
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide with MolForge

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Related Compounds

N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170513092
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
CID 51065387
4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
CID 170504710
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
2-(aminomethyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154915006
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (CID 170512674) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is Cc1cc(CCC(C)C)oc(=O)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)O2.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The InChIKey is GEZPARDZZVOZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-12(2)6-8-16-10-13(3)19(22(27)29-16)20(25)23-15-7-9-18-17(11-15)24(5)21(26)14(4)28-18/h7,9-12,14H,6,8H2,1-5H3,(H,23,25).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170512674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).