[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate

C17H24N2O4 — CID 8609852

IUPAC[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
SMILESCCC[C@@H](C)NC(=O)COC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-4-5-12(2)18-16(21)11-23-17(22)10-14-6-8-15(9-7-14)19-13(3)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyHFGZVDQKMARCFV-GFCCVEGCSA-N
MW320.39 g/mol
LogP2.04
Rot. Bonds8

About [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8609852) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8609852
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
SMILESCCC[C@@H](C)NC(=O)COC(=O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-4-5-12(2)18-16(21)11-23-17(22)10-14-6-8-15(9-7-14)19-13(3)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyHFGZVDQKMARCFV-GFCCVEGCSA-N
XLogP2.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611810
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611881
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949759
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949758
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate (CID 8609852) is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate is CCC[C@@H](C)NC(=O)COC(=O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is HFGZVDQKMARCFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-5-12(2)18-16(21)11-23-17(22)10-14-6-8-15(9-7-14)19-13(3)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)(H,19,20)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate?
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 320.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8609852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).