[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

C17H17NO5 — CID 18080567

IUPAC[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C17H17NO5/c1-3-18-16(20)10-22-17(21)15-9-8-14(23-15)13-6-4-12(5-7-13)11(2)19/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyMASMZUPOZMMAPT-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.44
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 18080567) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID18080567
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C17H17NO5/c1-3-18-16(20)10-22-17(21)15-9-8-14(23-15)13-6-4-12(5-7-13)11(2)19/h4-9H,3,10H2,1-2H3,(H,18,20)
InChIKeyMASMZUPOZMMAPT-UHFFFAOYSA-N
XLogP2.44
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727726
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727801
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727719
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18202196
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727824
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727812
(2-oxo-2-thiophen-2-ylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728134
[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195545
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728055
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8565759

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 18080567) is [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate is CCNC(=O)COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is MASMZUPOZMMAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-3-18-16(20)10-22-17(21)15-9-8-14(23-15)13-6-4-12(5-7-13)11(2)19/h4-9H,3,10H2,1-2H3,(H,18,20).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 18080567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).