N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide

C18H26N2O2 — CID 78826569

IUPACN,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
SMILESCCc1oc2ccccc2c1CN(C)CC(=O)N(CC)CC
InChIInChI=1S/C18H26N2O2/c1-5-16-15(14-10-8-9-11-17(14)22-16)12-19(4)13-18(21)20(6-2)7-3/h8-11H,5-7,12-13H2,1-4H3
InChIKeyLCOGZTDEESUYGZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.30
Rot. Bonds7

About N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide

N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide (PubChem CID 78826569) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
PubChem CID78826569
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
SMILESCCc1oc2ccccc2c1CN(C)CC(=O)N(CC)CC
InChIInChI=1S/C18H26N2O2/c1-5-16-15(14-10-8-9-11-17(14)22-16)12-19(4)13-18(21)20(6-2)7-3/h8-11H,5-7,12-13H2,1-4H3
InChIKeyLCOGZTDEESUYGZ-UHFFFAOYSA-N
XLogP3.30
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78899492
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
3-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide;hydrochloride
CID 119273988
2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
CID 111439493
2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
CID 78819087
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 84593385
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55428826
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
3-(2,6-difluorophenyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylpropanamide
CID 55650392
4-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 138003676

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide (CID 78826569) is N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide is CCc1oc2ccccc2c1CN(C)CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
The InChIKey is LCOGZTDEESUYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-16-15(14-10-8-9-11-17(14)22-16)12-19(4)13-18(21)20(6-2)7-3/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 78826569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).