N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide

C19H19NO2 — CID 27104969

IUPACN-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2cc(C)ccc2c1C)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-4-20(15-8-6-5-7-9-15)19(21)18-14(3)16-11-10-13(2)12-17(16)22-18/h5-12H,4H2,1-3H3
InChIKeyGPRKPPPZVAFVBY-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.72
Rot. Bonds3

About N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide

N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 27104969) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID27104969
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2cc(C)ccc2c1C)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-4-20(15-8-6-5-7-9-15)19(21)18-14(3)16-11-10-13(2)12-17(16)22-18/h5-12H,4H2,1-3H3
InChIKeyGPRKPPPZVAFVBY-UHFFFAOYSA-N
XLogP4.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
CID 18190752
N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 33005199
3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573006
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
N-ethyl-2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62508978
N-ethyl-5-methyl-N-phenylfuro[3,2-b]pyridine-2-carboxamide
CID 16906958
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
CID 113205333

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide (CID 27104969) is N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide is CCN(C(=O)c1oc2cc(C)ccc2c1C)c1ccccc1.
What is the InChIKey of N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is GPRKPPPZVAFVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-4-20(15-8-6-5-7-9-15)19(21)18-14(3)16-11-10-13(2)12-17(16)22-18/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide?
N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27104969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).