3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride

C15H21ClN2O2 — CID 119273988

IUPAC3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCN.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-3-13-12(10-17(2)15(18)8-9-16)11-6-4-5-7-14(11)19-13;/h4-7H,3,8-10,16H2,1-2H3;1H
InChIKeyMAIZCUGISDISJK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.72
Rot. Bonds5

About 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride

3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride (PubChem CID 119273988) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
PubChem CID119273988
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCN.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-3-13-12(10-17(2)15(18)8-9-16)11-6-4-5-7-14(11)19-13;/h4-7H,3,8-10,16H2,1-2H3;1H
InChIKeyMAIZCUGISDISJK-UHFFFAOYSA-N
XLogP2.72
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide
CID 55650392
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
CID 119694692
2-(aminomethyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119694671
N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55428826
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-propylthiourea
CID 8563844
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 78808885
3-benzyl-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea
CID 8563809
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 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride (CID 119273988) is 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride is CCc1oc2ccccc2c1CN(C)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride?
The InChIKey is MAIZCUGISDISJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-3-13-12(10-17(2)15(18)8-9-16)11-6-4-5-7-14(11)19-13;/h4-7H,3,8-10,16H2,1-2H3;1H.
What are the key properties of 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride?
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119273988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).