N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

C22H26N2O3 — CID 18087446

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H26N2O3/c1-4-26-19-11-9-17(10-12-19)14-24(3)15-22(25)23-16(2)21-13-18-7-5-6-8-20(18)27-21/h5-13,16H,4,14-15H2,1-3H3,(H,23,25)
InChIKeyJEFRKDQRYBWRQM-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.14
Rot. Bonds8

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 18087446) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID18087446
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H26N2O3/c1-4-26-19-11-9-17(10-12-19)14-24(3)15-22(25)23-16(2)21-13-18-7-5-6-8-20(18)27-21/h5-13,16H,4,14-15H2,1-3H3,(H,23,25)
InChIKeyJEFRKDQRYBWRQM-UHFFFAOYSA-N
XLogP4.14
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094865
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18088031
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692963
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 40702585
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 43052670
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (CID 18087446) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)NC(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is JEFRKDQRYBWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-26-19-11-9-17(10-12-19)14-24(3)15-22(25)23-16(2)21-13-18-7-5-6-8-20(18)27-21/h5-13,16H,4,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 366.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 18087446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).