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

C16H17NO5 — CID 660643

IUPACN-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(=O)oc2C)c(OC)c1
InChIInChI=1S/C16H17NO5/c1-9-7-14(18)22-10(2)15(9)16(19)17-12-6-5-11(20-3)8-13(12)21-4/h5-8H,1-4H3,(H,17,19)
InChIKeyWAAJPZYVIRNPPN-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.53
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 660643) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID660643
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(=O)oc2C)c(OC)c1
InChIInChI=1S/C16H17NO5/c1-9-7-14(18)22-10(2)15(9)16(19)17-12-6-5-11(20-3)8-13(12)21-4/h5-8H,1-4H3,(H,17,19)
InChIKeyWAAJPZYVIRNPPN-UHFFFAOYSA-N
XLogP2.53
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392914
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
N-(2,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
CID 743335
N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388020
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 660643) is N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is COc1ccc(NC(=O)c2c(C)cc(=O)oc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is WAAJPZYVIRNPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-9-7-14(18)22-10(2)15(9)16(19)17-12-6-5-11(20-3)8-13(12)21-4/h5-8H,1-4H3,(H,17,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 660643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).