2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide

C22H26N2O2 — CID 112798759

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(NC(C)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-24(5-2)22(25)21(17-11-7-6-8-12-17)23-16(3)20-15-18-13-9-10-14-19(18)26-20/h6-16,21,23H,4-5H2,1-3H3
InChIKeyKIGIJLCUOMUSFI-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.69
Rot. Bonds7

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide (PubChem CID 112798759) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide
PubChem CID112798759
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(NC(C)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-4-24(5-2)22(25)21(17-11-7-6-8-12-17)23-16(3)20-15-18-13-9-10-14-19(18)26-20/h6-16,21,23H,4-5H2,1-3H3
InChIKeyKIGIJLCUOMUSFI-UHFFFAOYSA-N
XLogP4.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692963
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112798745
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
CID 26132466

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide (CID 112798759) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(NC(C)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide?
The InChIKey is KIGIJLCUOMUSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-24(5-2)22(25)21(17-11-7-6-8-12-17)23-16(3)20-15-18-13-9-10-14-19(18)26-20/h6-16,21,23H,4-5H2,1-3H3.
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 112798759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).