N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide

C18H19N3O4 — CID 44592074

IUPACN-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](CO)C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-15-9-7-14(8-10-15)17(23)20-16(12-22)18(24)21-19-11-13-5-3-2-4-6-13/h2-11,16,22H,12H2,1H3,(H,20,23)(H,21,24)/b19-11+/t16-/m0/s1
InChIKeyMCWFQOBTFFSVEL-ZVCOJXFSSA-N
MW341.37 g/mol
LogP0.94
Rot. Bonds7

About N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide

N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide (PubChem CID 44592074) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide
PubChem CID44592074
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](CO)C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-15-9-7-14(8-10-15)17(23)20-16(12-22)18(24)21-19-11-13-5-3-2-4-6-13/h2-11,16,22H,12H2,1H3,(H,20,23)(H,21,24)/b19-11+/t16-/m0/s1
InChIKeyMCWFQOBTFFSVEL-ZVCOJXFSSA-N
XLogP0.94
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide (CID 44592074) is N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](CO)C(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide?
The InChIKey is MCWFQOBTFFSVEL-ZVCOJXFSSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-15-9-7-14(8-10-15)17(23)20-16(12-22)18(24)21-19-11-13-5-3-2-4-6-13/h2-11,16,22H,12H2,1H3,(H,20,23)(H,21,24)/b19-11+/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide?
N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide has a molecular weight of 341.37 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 44592074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).