N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C16H17NO4 — CID 4299306

IUPACN-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C16H17NO4/c1-10-8-14(18)21-11(2)15(10)16(19)17-9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyOCZINAYPWILKDM-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 4299306) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID4299306
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C16H17NO4/c1-10-8-14(18)21-11(2)15(10)16(19)17-9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyOCZINAYPWILKDM-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 4299306) is N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is COc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is OCZINAYPWILKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-8-14(18)21-11(2)15(10)16(19)17-9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 4299306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).