[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate

C19H25NO4 — CID 42899513

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCCCC(C)NC(=O)COC(=O)Cc1coc2cc(C)c(C)cc12
InChIInChI=1S/C19H25NO4/c1-5-6-14(4)20-18(21)11-24-19(22)9-15-10-23-17-8-13(3)12(2)7-16(15)17/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,20,21)
InChIKeyBSGSXBMBFNIURB-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.44
Rot. Bonds7

About [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (PubChem CID 42899513) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
PubChem CID42899513
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
SMILESCCCC(C)NC(=O)COC(=O)Cc1coc2cc(C)c(C)cc12
InChIInChI=1S/C19H25NO4/c1-5-6-14(4)20-18(21)11-24-19(22)9-15-10-23-17-8-13(3)12(2)7-16(15)17/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,20,21)
InChIKeyBSGSXBMBFNIURB-UHFFFAOYSA-N
XLogP3.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251987
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252037
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251818
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 46608071
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 41069551
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7252001
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251943
methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate
CID 8845905
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251815
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 9456977
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 18268873

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate (CID 42899513) is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is CCCC(C)NC(=O)COC(=O)Cc1coc2cc(C)c(C)cc12.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
The InChIKey is BSGSXBMBFNIURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-6-14(4)20-18(21)11-24-19(22)9-15-10-23-17-8-13(3)12(2)7-16(15)17/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,20,21).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate has a molecular weight of 331.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 42899513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).