N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide

C16H16N2O2 — CID 5418273

IUPACN-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
SMILESCc1cccc(/C=N\NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c1-13-6-5-7-14(10-13)11-17-18-16(19)12-20-15-8-3-2-4-9-15/h2-11H,12H2,1H3,(H,18,19)/b17-11-
InChIKeyKLNJXXNCVXKJQS-BOPFTXTBSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds5

About N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide

N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide (PubChem CID 5418273) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
PubChem CID5418273
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
SMILESCc1cccc(/C=N\NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c1-13-6-5-7-14(10-13)11-17-18-16(19)12-20-15-8-3-2-4-9-15/h2-11H,12H2,1H3,(H,18,19)/b17-11-
InChIKeyKLNJXXNCVXKJQS-BOPFTXTBSA-N
XLogP2.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
2-(3-methylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924430
2-(3-methylphenoxy)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6231780
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide (CID 5418273) is N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide is Cc1cccc(/C=N\NC(=O)COc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is KLNJXXNCVXKJQS-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-13-6-5-7-14(10-13)11-17-18-16(19)12-20-15-8-3-2-4-9-15/h2-11H,12H2,1H3,(H,18,19)/b17-11-.
What are the key properties of N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide?
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide has a molecular weight of 268.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 5418273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).