N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide

C21H23NO2 — CID 55428710

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCc1ccccc1
InChIInChI=1S/C21H23NO2/c1-3-19-18(17-11-7-8-12-20(17)24-19)15-22(2)21(23)14-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3
InChIKeyBAIISGRAWXRHPW-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.59
Rot. Bonds6

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 55428710) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID55428710
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCc1ccccc1
InChIInChI=1S/C21H23NO2/c1-3-19-18(17-11-7-8-12-20(17)24-19)15-22(2)21(23)14-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3
InChIKeyBAIISGRAWXRHPW-UHFFFAOYSA-N
XLogP4.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide
CID 55650392
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
3-benzyl-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 8563809
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 78808885
N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
CID 119694692
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55428826
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51111502
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-propylthiourea
CID 8563844
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119273983

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide (CID 55428710) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide is CCc1oc2ccccc2c1CN(C)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is BAIISGRAWXRHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-19-18(17-11-7-8-12-20(17)24-19)15-22(2)21(23)14-13-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 55428710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).