2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide

C16H19NO2 — CID 2932803

IUPAC2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO2/c1-10-5-7-14(8-6-10)12(3)17-16(18)15-9-11(2)19-13(15)4/h5-9,12H,1-4H3,(H,17,18)
InChIKeyFBPAXWNTVGOTLM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.70
Rot. Bonds3

About 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide

2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide (PubChem CID 2932803) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
PubChem CID2932803
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H19NO2/c1-10-5-7-14(8-6-10)12(3)17-16(18)15-9-11(2)19-13(15)4/h5-9,12H,1-4H3,(H,17,18)
InChIKeyFBPAXWNTVGOTLM-UHFFFAOYSA-N
XLogP3.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide (CID 2932803) is 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
The InChIKey is FBPAXWNTVGOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-5-7-14(8-6-10)12(3)17-16(18)15-9-11(2)19-13(15)4/h5-9,12H,1-4H3,(H,17,18).
What are the key properties of 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 2932803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).