N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide

C25H25N3O4 — CID 3438139

IUPACN-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc(C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C25H25N3O4/c1-18-7-6-10-21(13-18)25(30)26-16-24(29)28-27-15-20-11-12-22(31-2)23(14-20)32-17-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyNMMIXRMBVAVRSN-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.46
Rot. Bonds9

About N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide

N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide (PubChem CID 3438139) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
PubChem CID3438139
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc(C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C25H25N3O4/c1-18-7-6-10-21(13-18)25(30)26-16-24(29)28-27-15-20-11-12-22(31-2)23(14-20)32-17-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyNMMIXRMBVAVRSN-UHFFFAOYSA-N
XLogP3.46
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.46
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-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135615922
4-chloro-N-[2-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3285591
[2-methoxy-4-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 5106661
3-hydroxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911475
3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 94847745
3-bromo-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3708830
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135613300
3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3893797
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
[2-methoxy-4-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 4247681
N-[2-[2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4229832

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide (CID 3438139) is N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide is COc1ccc(C=NNC(=O)CNC(=O)c2cccc(C)c2)cc1OCc1ccccc1.
What is the InChIKey of N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is NMMIXRMBVAVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-18-7-6-10-21(13-18)25(30)26-16-24(29)28-27-15-20-11-12-22(31-2)23(14-20)32-17-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide?
N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 431.49 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 3438139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).