2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C22H28N2O2 — CID 2164253

IUPAC2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2CNC2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-11-13-20(14-12-17)24-22(25)16-26-21-10-6-5-7-18(21)15-23-19-8-3-2-4-9-19/h5-7,10-14,19,23H,2-4,8-9,15-16H2,1H3,(H,24,25)
InChIKeyZRMBITAGODZGNW-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.43
Rot. Bonds7

About 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 2164253) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID2164253
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2CNC2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-11-13-20(14-12-17)24-22(25)16-26-21-10-6-5-7-18(21)15-23-19-8-3-2-4-9-19/h5-7,10-14,19,23H,2-4,8-9,15-16H2,1H3,(H,24,25)
InChIKeyZRMBITAGODZGNW-UHFFFAOYSA-N
XLogP4.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953
2-[2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986239
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 43277404
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492439

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 2164253) is 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccccc2CNC2CCCCC2)cc1.
What is the InChIKey of 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is ZRMBITAGODZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-11-13-20(14-12-17)24-22(25)16-26-21-10-6-5-7-18(21)15-23-19-8-3-2-4-9-19/h5-7,10-14,19,23H,2-4,8-9,15-16H2,1H3,(H,24,25).
What are the key properties of 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2164253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).