2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide

C22H30N2O2 — CID 31544159

IUPAC2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)19-8-6-7-9-20(19)26-16-21(25)23-14-17-10-12-18(13-11-17)15-24(4)5/h6-13H,14-16H2,1-5H3,(H,23,25)
InChIKeyHPCQZDIYWWYCER-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.74
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide

2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide (PubChem CID 31544159) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
PubChem CID31544159
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O2/c1-22(2,3)19-8-6-7-9-20(19)26-16-21(25)23-14-17-10-12-18(13-11-17)15-24(4)5/h6-13H,14-16H2,1-5H3,(H,23,25)
InChIKeyHPCQZDIYWWYCER-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620662
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 31449562
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide (CID 31544159) is 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide is CN(C)Cc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The InChIKey is HPCQZDIYWWYCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(2,3)19-8-6-7-9-20(19)26-16-21(25)23-14-17-10-12-18(13-11-17)15-24(4)5/h6-13H,14-16H2,1-5H3,(H,23,25).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide?
2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide has a molecular weight of 354.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 31544159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).