[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate

C20H23NO5 — CID 7727801

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C20H23NO5/c1-4-16(5-2)21-19(23)12-25-20(24)18-11-10-17(26-18)15-8-6-14(7-9-15)13(3)22/h6-11,16H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyBBBCMAOSIIFMAO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.61
Rot. Bonds8

About [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate

[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 7727801) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID7727801
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C20H23NO5/c1-4-16(5-2)21-19(23)12-25-20(24)18-11-10-17(26-18)15-8-6-14(7-9-15)13(3)22/h6-11,16H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyBBBCMAOSIIFMAO-UHFFFAOYSA-N
XLogP3.61
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18080567
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727726
[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-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727719
(2-oxo-2-thiophen-2-ylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728134
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728055
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide
CID 16602950

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 7727801) is [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate is CCC(CC)NC(=O)COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is BBBCMAOSIIFMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-16(5-2)21-19(23)12-25-20(24)18-11-10-17(26-18)15-8-6-14(7-9-15)13(3)22/h6-11,16H,4-5,12H2,1-3H3,(H,21,23).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 7727801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).