[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

C21H23N3O6 — CID 8943779

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O6/c1-3-29-17-11-9-16(10-12-17)20(27)22-13-18(25)30-14(2)19(26)23-24-21(28)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)/t14-/m1/s1
InChIKeyOEJOVNLDLCDHON-CQSZACIVSA-N
MW413.43 g/mol
LogP1.21
Rot. Bonds8

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 8943779) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID8943779
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O6/c1-3-29-17-11-9-16(10-12-17)20(27)22-13-18(25)30-14(2)19(26)23-24-21(28)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)/t14-/m1/s1
InChIKeyOEJOVNLDLCDHON-CQSZACIVSA-N
XLogP1.21
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320290
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884563
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 42969062
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884711
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833353

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 8943779) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is OEJOVNLDLCDHON-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-3-29-17-11-9-16(10-12-17)20(27)22-13-18(25)30-14(2)19(26)23-24-21(28)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)/t14-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 413.43 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 8943779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).