N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide

C17H18N2O3 — CID 6870806

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C17H18N2O3/c1-13-5-3-4-6-16(13)22-12-17(20)19-18-11-14-7-9-15(21-2)10-8-14/h3-11H,12H2,1-2H3,(H,19,20)/b18-11+
InChIKeyJPFOEFSVHGZUCD-WOJGMQOQSA-N
MW298.34 g/mol
LogP2.53
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 6870806) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID6870806
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C17H18N2O3/c1-13-5-3-4-6-16(13)22-12-17(20)19-18-11-14-7-9-15(21-2)10-8-14/h3-11H,12H2,1-2H3,(H,19,20)/b18-11+
InChIKeyJPFOEFSVHGZUCD-WOJGMQOQSA-N
XLogP2.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
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-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
[4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1270713
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 5441416
2-(4-tert-butyl-2-methylphenoxy)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1105092
[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6025641
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
[2-methoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 1246963
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide (CID 6870806) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide is COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is JPFOEFSVHGZUCD-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13-5-3-4-6-16(13)22-12-17(20)19-18-11-14-7-9-15(21-2)10-8-14/h3-11H,12H2,1-2H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 6870806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).