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

C18H21NO5 — CID 4299029

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)cc(=O)oc2C)cc1OC
InChIInChI=1S/C18H21NO5/c1-11-9-16(20)24-12(2)17(11)18(21)19-8-7-13-5-6-14(22-3)15(10-13)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21)
InChIKeyRDIQWCSFDVKHIF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.25
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 4299029) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID4299029
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)cc(=O)oc2C)cc1OC
InChIInChI=1S/C18H21NO5/c1-11-9-16(20)24-12(2)17(11)18(21)19-8-7-13-5-6-14(22-3)15(10-13)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21)
InChIKeyRDIQWCSFDVKHIF-UHFFFAOYSA-N
XLogP2.25
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 4299029) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is COc1ccc(CCNC(=O)c2c(C)cc(=O)oc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is RDIQWCSFDVKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-11-9-16(20)24-12(2)17(11)18(21)19-8-7-13-5-6-14(22-3)15(10-13)23-4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 4299029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).