N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide

C23H22N2O2 — CID 94832020

IUPACN-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide
SMILESCc1ccc(/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-18-7-11-21(12-8-18)24-15-20-9-13-22(14-10-20)27-17-23(26)25-16-19-5-3-2-4-6-19/h2-15H,16-17H2,1H3,(H,25,26)/b24-15+
InChIKeyTZLYONVZTLLTDU-BUVRLJJBSA-N
MW358.44 g/mol
LogP4.44
Rot. Bonds7

About N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide

N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide (PubChem CID 94832020) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide
PubChem CID94832020
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide
SMILESCc1ccc(/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-18-7-11-21(12-8-18)24-15-20-9-13-22(14-10-20)27-17-23(26)25-16-19-5-3-2-4-6-19/h2-15H,16-17H2,1H3,(H,25,26)/b24-15+
InChIKeyTZLYONVZTLLTDU-BUVRLJJBSA-N
XLogP4.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide
CID 126217084
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191415
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 94832080
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide (CID 94832020) is N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide is Cc1ccc(/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is TZLYONVZTLLTDU-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-18-7-11-21(12-8-18)24-15-20-9-13-22(14-10-20)27-17-23(26)25-16-19-5-3-2-4-6-19/h2-15H,16-17H2,1H3,(H,25,26)/b24-15+.
What are the key properties of N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide?
N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 94832020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).