5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide

C16H19NO3 — CID 94282375

IUPAC5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)CCO)o2)c1C
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-13(12(11)2)14-7-8-15(20-14)16(19)17(3)9-10-18/h4-8,18H,9-10H2,1-3H3
InChIKeyGDEREQHZTHLVSD-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.63
Rot. Bonds4

About 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide

5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide (PubChem CID 94282375) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
PubChem CID94282375
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N(C)CCO)o2)c1C
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-13(12(11)2)14-7-8-15(20-14)16(19)17(3)9-10-18/h4-8,18H,9-10H2,1-3H3
InChIKeyGDEREQHZTHLVSD-UHFFFAOYSA-N
XLogP2.63
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide (CID 94282375) is 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide is Cc1cccc(-c2ccc(C(=O)N(C)CCO)o2)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
The InChIKey is GDEREQHZTHLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-5-4-6-13(12(11)2)14-7-8-15(20-14)16(19)17(3)9-10-18/h4-8,18H,9-10H2,1-3H3.
What are the key properties of 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 94282375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).