N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide

C20H21NO4 — CID 87015123

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
SMILESCOc1cccc(OCC(=O)N(C)C(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C20H21NO4/c1-14(19-11-15-7-4-5-10-18(15)25-19)21(2)20(22)13-24-17-9-6-8-16(12-17)23-3/h4-12,14H,13H2,1-3H3
InChIKeyWJZTWTDZZXDKOQ-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide (PubChem CID 87015123) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
PubChem CID87015123
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
SMILESCOc1cccc(OCC(=O)N(C)C(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C20H21NO4/c1-14(19-11-15-7-4-5-10-18(15)25-19)21(2)20(22)13-24-17-9-6-8-16(12-17)23-3/h4-12,14H,13H2,1-3H3
InChIKeyWJZTWTDZZXDKOQ-UHFFFAOYSA-N
XLogP4.04
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 86982268
N-[1-(1-benzofuran-2-yl)ethyl]-4-(3-fluorophenoxy)-N-methylbutanamide
CID 55940363
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide (CID 87015123) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide is COc1cccc(OCC(=O)N(C)C(C)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide?
The InChIKey is WJZTWTDZZXDKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(19-11-15-7-4-5-10-18(15)25-19)21(2)20(22)13-24-17-9-6-8-16(12-17)23-3/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide has a molecular weight of 339.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 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-(3-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 87015123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).