[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate

C17H24N2O5 — CID 8984621

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
SMILESCC(=O)NNC(=O)COC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24N2O5/c1-11(16(22)23-10-15(21)19-18-12(2)20)24-14-8-6-13(7-9-14)17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyUNCPKJGMHNETTR-LLVKDONJSA-N
MW336.39 g/mol
LogP1.46
Rot. Bonds5

About [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate

[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate (PubChem CID 8984621) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
PubChem CID8984621
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
SMILESCC(=O)NNC(=O)COC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H24N2O5/c1-11(16(22)23-10-15(21)19-18-12(2)20)24-14-8-6-13(7-9-14)17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyUNCPKJGMHNETTR-LLVKDONJSA-N
XLogP1.46
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984743
(2-benzamido-2-oxoethyl) (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984840
[2-(2-methylanilino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8985000
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985054
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984965
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984705
[2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984997
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)propanoate
CID 4121287
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984659
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985042

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate (CID 8984621) is [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate is CC(=O)NNC(=O)COC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The InChIKey is UNCPKJGMHNETTR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-11(16(22)23-10-15(21)19-18-12(2)20)24-14-8-6-13(7-9-14)17(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate?
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate has a molecular weight of 336.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 8984621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).