N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide

C17H18N2O3 — CID 690776

IUPACN-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
SMILESCOc1ccc(/C=N/c2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-12(20)19-15-7-5-14(6-8-15)18-11-13-4-9-16(21-2)10-17(13)22-3/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKeyVHYFSGQNWMSVNK-WOJGMQOQSA-N
MW298.34 g/mol
LogP3.41
Rot. Bonds5

About N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide

N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide (PubChem CID 690776) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
PubChem CID690776
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
SMILESCOc1ccc(/C=N/c2ccc(NC(C)=O)cc2)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-12(20)19-15-7-5-14(6-8-15)18-11-13-4-9-16(21-2)10-17(13)22-3/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKeyVHYFSGQNWMSVNK-WOJGMQOQSA-N
XLogP3.41
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50860072
[4-[(4-acetamidophenyl)iminomethyl]phenyl] benzoate
CID 1116148

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide (CID 690776) is N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide is COc1ccc(/C=N/c2ccc(NC(C)=O)cc2)c(OC)c1.
What is the InChIKey of N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide?
The InChIKey is VHYFSGQNWMSVNK-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(20)19-15-7-5-14(6-8-15)18-11-13-4-9-16(21-2)10-17(13)22-3/h4-11H,1-3H3,(H,19,20)/b18-11+.
What are the key properties of N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide?
N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide has a molecular weight of 298.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 690776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).