2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide

C23H22N2O2 — CID 7801606

IUPAC2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-9-18(2)22(14-17)27-16-23(26)25-24-15-19-10-12-21(13-11-19)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,25,26)/b24-15-
InChIKeyNTQBEAQSIVIYRN-IWIPYMOSSA-N
MW358.44 g/mol
LogP4.50
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide

2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide (PubChem CID 7801606) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
PubChem CID7801606
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-17-8-9-18(2)22(14-17)27-16-23(26)25-24-15-19-10-12-21(13-11-19)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,25,26)/b24-15-
InChIKeyNTQBEAQSIVIYRN-IWIPYMOSSA-N
XLogP4.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.50
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-(2,5-dimethylphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3297073
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 5426420
2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6911005
2-(2,5-dimethylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560510
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-(2,5-dimethylphenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5412056
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6898858
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
2-(2,5-dimethylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6898857
[4-[[[2-(2,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 71950617
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide (CID 7801606) is 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is Cc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide?
The InChIKey is NTQBEAQSIVIYRN-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-9-18(2)22(14-17)27-16-23(26)25-24-15-19-10-12-21(13-11-19)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,25,26)/b24-15-.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide?
2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 7801606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).