N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide

C17H22N2O2 — CID 47013464

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccoc1C
InChIInChI=1S/C17H22N2O2/c1-5-19(17(20)16-10-11-21-13(16)2)12-14-6-8-15(9-7-14)18(3)4/h6-11H,5,12H2,1-4H3
InChIKeyNSXXLNJZIYNERE-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.32
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide (PubChem CID 47013464) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
PubChem CID47013464
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccoc1C
InChIInChI=1S/C17H22N2O2/c1-5-19(17(20)16-10-11-21-13(16)2)12-14-6-8-15(9-7-14)18(3)4/h6-11H,5,12H2,1-4H3
InChIKeyNSXXLNJZIYNERE-UHFFFAOYSA-N
XLogP3.32
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide (CID 47013464) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccoc1C.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
The InChIKey is NSXXLNJZIYNERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-19(17(20)16-10-11-21-13(16)2)12-14-6-8-15(9-7-14)18(3)4/h6-11H,5,12H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 47013464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).