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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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 94282373
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
5-(2,3-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 17479648
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 119658454
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 18277180
5-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 31285113
5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide
CID 50849668
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 9085023
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
CID 60653153
7-bromo-N-(2-hydroxyethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 110890190

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).