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

C19H21N3O4 — CID 46229012

IUPACN-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccccc2)C(C)O)cc1
InChIInChI=1S/C19H21N3O4/c1-13(23)17(19(25)22-20-12-14-6-4-3-5-7-14)21-18(24)15-8-10-16(26-2)11-9-15/h3-13,17,23H,1-2H3,(H,21,24)(H,22,25)/b20-12+/t13?,17-/m0/s1
InChIKeyDZJXQSCCRRUFIL-UXLUINOCSA-N
MW355.39 g/mol
LogP1.32
Rot. Bonds7

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

N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 46229012) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID46229012
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccccc2)C(C)O)cc1
InChIInChI=1S/C19H21N3O4/c1-13(23)17(19(25)22-20-12-14-6-4-3-5-7-14)21-18(24)15-8-10-16(26-2)11-9-15/h3-13,17,23H,1-2H3,(H,21,24)(H,22,25)/b20-12+/t13?,17-/m0/s1
InChIKeyDZJXQSCCRRUFIL-UXLUINOCSA-N
XLogP1.32
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.32
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'}

Analyze N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide (CID 46229012) is N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccccc2)C(C)O)cc1.
What is the InChIKey of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is DZJXQSCCRRUFIL-UXLUINOCSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(23)17(19(25)22-20-12-14-6-4-3-5-7-14)21-18(24)15-8-10-16(26-2)11-9-15/h3-13,17,23H,1-2H3,(H,21,24)(H,22,25)/b20-12+/t13?,17-/m0/s1.
What are the key properties of N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 355.39 g/mol, XLogP of 1.32, 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-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 46229012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).