N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C16H17NO4 — CID 965047

IUPACN-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C16H17NO4/c1-4-20-13-7-5-12(6-8-13)17-16(19)15-10(2)9-14(18)21-11(15)3/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyZDXYINWSUBZNOU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.91
Rot. Bonds4

About N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 965047) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID965047
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C16H17NO4/c1-4-20-13-7-5-12(6-8-13)17-16(19)15-10(2)9-14(18)21-11(15)3/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyZDXYINWSUBZNOU-UHFFFAOYSA-N
XLogP2.91
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699384
N-(4-ethoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110650319
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805638
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600672
5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 16651497
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-ethoxyphenyl)furo[3,2-b]pyridine-2-carboxamide
CID 16906829

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 965047) is N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is CCOc1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is ZDXYINWSUBZNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-4-20-13-7-5-12(6-8-13)17-16(19)15-10(2)9-14(18)21-11(15)3/h5-9H,4H2,1-3H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 965047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).