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

C16H19NO3 — CID 97029759

IUPAC4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C16H19NO3/c1-4-19-14-9-7-13(8-10-14)16(18)17(3)12(2)15-6-5-11-20-15/h5-12H,4H2,1-3H3/t12-/m0/s1
InChIKeyGSUGELDQBVFYOJ-LBPRGKRZSA-N
MW273.33 g/mol
LogP3.51
Rot. Bonds5

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

4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide (PubChem CID 97029759) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
PubChem CID97029759
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C16H19NO3/c1-4-19-14-9-7-13(8-10-14)16(18)17(3)12(2)15-6-5-11-20-15/h5-12H,4H2,1-3H3/t12-/m0/s1
InChIKeyGSUGELDQBVFYOJ-LBPRGKRZSA-N
XLogP3.51
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 50981914
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-(1-chloropropan-2-yl)-4-ethoxy-N-methylbenzamide
CID 104555583
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide
CID 86783260
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 86982268
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
ethyl 1-[4-[1-(furan-2-yl)ethyl-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 78866198
N-[2,2-bis(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 131702564
3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 86927115
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide (CID 97029759) is 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide is CCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1.
What is the InChIKey of 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide?
The InChIKey is GSUGELDQBVFYOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-19-14-9-7-13(8-10-14)16(18)17(3)12(2)15-6-5-11-20-15/h5-12H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide?
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide has a molecular weight of 273.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 97029759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).