N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide

C22H22N2O3 — CID 112982725

IUPACN-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)COc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-20-13-7-17(8-14-20)15-23-18-9-11-19(12-10-18)24-22(25)16-27-21-5-3-2-4-6-21/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyDOMSUBOQEPIESW-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.32
Rot. Bonds8

About N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide

N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide (PubChem CID 112982725) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
PubChem CID112982725
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(CNc2ccc(NC(=O)COc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-20-13-7-17(8-14-20)15-23-18-9-11-19(12-10-18)24-22(25)16-27-21-5-3-2-4-6-21/h2-14,23H,15-16H2,1H3,(H,24,25)
InChIKeyDOMSUBOQEPIESW-UHFFFAOYSA-N
XLogP4.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 166371906
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide (CID 112982725) is N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide is COc1ccc(CNc2ccc(NC(=O)COc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide?
The InChIKey is DOMSUBOQEPIESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-20-13-7-17(8-14-20)15-23-18-9-11-19(12-10-18)24-22(25)16-27-21-5-3-2-4-6-21/h2-14,23H,15-16H2,1H3,(H,24,25).
What are the key properties of N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide?
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide has a molecular weight of 362.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 112982725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).