N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

C17H21NO4 — CID 4788144

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C17H21NO4/c1-11-9-14(12(2)22-11)17(19)18-8-7-13-5-6-15(20-3)16(10-13)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)
InChIKeyYEYVTWGRHTZVKG-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 4788144) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID4788144
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C17H21NO4/c1-11-9-14(12(2)22-11)17(19)18-8-7-13-5-6-15(20-3)16(10-13)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,18,19)
InChIKeyYEYVTWGRHTZVKG-UHFFFAOYSA-N
XLogP2.89
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 4788144) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is COc1ccc(CCNC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is YEYVTWGRHTZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11-9-14(12(2)22-11)17(19)18-8-7-13-5-6-15(20-3)16(10-13)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4788144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).