2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

C24H23N3O4 — CID 3907655

IUPAC2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-30-22-10-6-5-9-21(22)24(29)25-16-23(28)27-26-15-18-11-13-20(14-12-18)31-17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyOQMSQNOVPLJWMW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.15
Rot. Bonds9

About 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 3907655) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID3907655
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-30-22-10-6-5-9-21(22)24(29)25-16-23(28)27-26-15-18-11-13-20(14-12-18)31-17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyOQMSQNOVPLJWMW-UHFFFAOYSA-N
XLogP3.15
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.15
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

2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3400317
4-[(E)-[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6895010
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-iodobenzamide
CID 3749719
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (CID 3907655) is 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is COc1ccccc1C(=O)NCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is OQMSQNOVPLJWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-22-10-6-5-9-21(22)24(29)25-16-23(28)27-26-15-18-11-13-20(14-12-18)31-17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,25,29)(H,27,28).
What are the key properties of 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3907655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).