4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide

C28H31N3O4 — CID 3548746

IUPAC4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NN=Cc2ccccc2OCc2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C28H31N3O4/c1-19(2)26(30-27(32)22-13-15-24(34-4)16-14-22)28(33)31-29-17-23-7-5-6-8-25(23)35-18-21-11-9-20(3)10-12-21/h5-17,19,26H,18H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyPUIJIWDFMJAXOP-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.49
Rot. Bonds10

About 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide (PubChem CID 3548746) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
PubChem CID3548746
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NN=Cc2ccccc2OCc2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C28H31N3O4/c1-19(2)26(30-27(32)22-13-15-24(34-4)16-14-22)28(33)31-29-17-23-7-5-6-8-25(23)35-18-21-11-9-20(3)10-12-21/h5-17,19,26H,18H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyPUIJIWDFMJAXOP-UHFFFAOYSA-N
XLogP4.49
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
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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Related Compounds

N-[1-[2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4559929
4-fluoro-N-[3-methyl-1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 3884318
4-methoxy-N-[3-methyl-1-oxo-1-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 3300933
N-[1-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3926301
4-fluoro-N-[1-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3983098
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
N-[1-[2-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 3651840
N-[1-[2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 5218424
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 51061317
N-[1-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3664195
(2S)-N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyanilino)propanamide
CID 6874182
N-[1-[2-[(5-bromo-2-butoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3360795

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide (CID 3548746) is 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NN=Cc2ccccc2OCc2ccc(C)cc2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?
The InChIKey is PUIJIWDFMJAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-19(2)26(30-27(32)22-13-15-24(34-4)16-14-22)28(33)31-29-17-23-7-5-6-8-25(23)35-18-21-11-9-20(3)10-12-21/h5-17,19,26H,18H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide has a molecular weight of 473.57 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 3548746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).