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

C16H19NO3 — CID 18107460

IUPACN-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO3/c1-11-10-15(12(2)20-11)16(18)17-9-8-13-4-6-14(19-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyWLIWGTHKGHFFRV-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.88
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 18107460) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID18107460
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO3/c1-11-10-15(12(2)20-11)16(18)17-9-8-13-4-6-14(19-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyWLIWGTHKGHFFRV-UHFFFAOYSA-N
XLogP2.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 18107460) is N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is COc1ccc(CCNC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WLIWGTHKGHFFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-10-15(12(2)20-11)16(18)17-9-8-13-4-6-14(19-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 18107460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).