N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide

C20H21NO3 — CID 46550865

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H21NO3/c1-4-23-17-11-9-15(10-12-17)20(22)21(3)14(2)19-13-16-7-5-6-8-18(16)24-19/h5-14H,4H2,1-3H3
InChIKeyMSBXONZRRMEWIW-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.66
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide (PubChem CID 46550865) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
PubChem CID46550865
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H21NO3/c1-4-23-17-11-9-15(10-12-17)20(22)21(3)14(2)19-13-16-7-5-6-8-18(16)24-19/h5-14H,4H2,1-3H3
InChIKeyMSBXONZRRMEWIW-UHFFFAOYSA-N
XLogP4.66
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 46550910
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 46588483
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 43052670
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 87015123
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide (CID 46550865) is N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide is CCOc1ccc(C(=O)N(C)C(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide?
The InChIKey is MSBXONZRRMEWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-23-17-11-9-15(10-12-17)20(22)21(3)14(2)19-13-16-7-5-6-8-18(16)24-19/h5-14H,4H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide has a molecular weight of 323.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide is sourced from PubChem (CID 46550865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).