N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide

C20H21NO2 — CID 23723702

IUPACN-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C20H21NO2/c1-4-21(13-16-8-6-5-7-9-16)20(22)19-15(3)17-12-14(2)10-11-18(17)23-19/h5-12H,4,13H2,1-3H3
InChIKeyXHRUFYIVQLOUBF-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.71
Rot. Bonds4

About N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide

N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 23723702) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID23723702
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C20H21NO2/c1-4-21(13-16-8-6-5-7-9-16)20(22)19-15(3)17-12-14(2)10-11-18(17)23-19/h5-12H,4,13H2,1-3H3
InChIKeyXHRUFYIVQLOUBF-UHFFFAOYSA-N
XLogP4.71
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 23723702) is N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1oc2ccc(C)cc2c1C.
What is the InChIKey of N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is XHRUFYIVQLOUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-21(13-16-8-6-5-7-9-16)20(22)19-15(3)17-12-14(2)10-11-18(17)23-19/h5-12H,4,13H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).