N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

C19H21NO5 — CID 170504391

IUPACN-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(C3CCCO3)oc2=O)c(C)c1
InChIInChI=1S/C19H21NO5/c1-11-9-13(23-3)6-7-14(11)20-18(21)17-12(2)10-16(25-19(17)22)15-5-4-8-24-15/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyZCQBXDYQVQHQEF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.37
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (PubChem CID 170504391) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
PubChem CID170504391
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(C3CCCO3)oc2=O)c(C)c1
InChIInChI=1S/C19H21NO5/c1-11-9-13(23-3)6-7-14(11)20-18(21)17-12(2)10-16(25-19(17)22)15-5-4-8-24-15/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyZCQBXDYQVQHQEF-UHFFFAOYSA-N
XLogP3.37
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507768
4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide
CID 170505604
4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170502476
N-(6-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507077
6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 170509223
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 660643
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-6-(oxolan-2-yl)pyran-2-one
CID 169414938
6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170506110
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171713133
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170508266

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (CID 170504391) is N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is COc1ccc(NC(=O)c2c(C)cc(C3CCCO3)oc2=O)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The InChIKey is ZCQBXDYQVQHQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-11-9-13(23-3)6-7-14(11)20-18(21)17-12(2)10-16(25-19(17)22)15-5-4-8-24-15/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,20,21).
What are the key properties of N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is sourced from PubChem (CID 170504391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).