2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide

C25H26N2O2 — CID 142272598

IUPAC2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1ccc(/C=N/CC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O2/c1-20-9-11-22(12-10-20)18-26-19-25(28)27-23-13-15-24(16-14-23)29-17-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-16,18H,5,8,17,19H2,1H3,(H,27,28)/b26-18+
InChIKeyWFXNRBAIQVNJIF-NLRVBDNBSA-N
MW386.50 g/mol
LogP5.06
Rot. Bonds9

About 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide

2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 142272598) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
PubChem CID142272598
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1ccc(/C=N/CC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O2/c1-20-9-11-22(12-10-20)18-26-19-25(28)27-23-13-15-24(16-14-23)29-17-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-16,18H,5,8,17,19H2,1H3,(H,27,28)/b26-18+
InChIKeyWFXNRBAIQVNJIF-NLRVBDNBSA-N
XLogP5.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
CID 70606724
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130083
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (CID 142272598) is 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is Cc1ccc(/C=N/CC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is WFXNRBAIQVNJIF-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-20-9-11-22(12-10-20)18-26-19-25(28)27-23-13-15-24(16-14-23)29-17-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-16,18H,5,8,17,19H2,1H3,(H,27,28)/b26-18+.
What are the key properties of 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylideneamino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 142272598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).