N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide

C18H19N3O3 — CID 3940668

IUPACN-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(17(22)21-19-12-14-6-4-3-5-7-14)20-18(23)15-8-10-16(24-2)11-9-15/h3-13H,1-2H3,(H,20,23)(H,21,22)
InChIKeyLJSIXNOCTIVREX-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.96
Rot. Bonds6

About N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide

N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide (PubChem CID 3940668) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide
PubChem CID3940668
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(17(22)21-19-12-14-6-4-3-5-7-14)20-18(23)15-8-10-16(24-2)11-9-15/h3-13H,1-2H3,(H,20,23)(H,21,22)
InChIKeyLJSIXNOCTIVREX-UHFFFAOYSA-N
XLogP1.96
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-methoxy-N-[1-oxo-1-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 4300570
2-bromo-N-[1-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3473498
N-[1-[(2E)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 135683737
N-[1-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3926301
N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3468743
ethyl 2-[3-[[2-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate
CID 5222615
N-[1-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3922997
N-[1-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 135613798
N-[(2R)-1-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 136861943
4-methoxy-N-[3-methyl-1-oxo-1-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 3300933
N-[1-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3990603
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide (CID 3940668) is N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)C(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide?
The InChIKey is LJSIXNOCTIVREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(17(22)21-19-12-14-6-4-3-5-7-14)20-18(23)15-8-10-16(24-2)11-9-15/h3-13H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide?
N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 3940668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).