N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide

C26H28ClNO2 — CID 141107916

IUPACN-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide
SMILESCC(C)(C)c1ccc(CN(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2)cc1
InChIInChI=1S/C26H28ClNO2/c1-26(2,3)22-13-9-20(10-14-22)17-28(18-21-11-15-23(27)16-12-21)25(29)19-30-24-7-5-4-6-8-24/h4-16H,17-19H2,1-3H3
InChIKeyWXDPRFKUBYLQNW-UHFFFAOYSA-N
MW421.97 g/mol
LogP6.25
Rot. Bonds7

About N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide

N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide (PubChem CID 141107916) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide
PubChem CID141107916
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide
SMILESCC(C)(C)c1ccc(CN(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2)cc1
InChIInChI=1S/C26H28ClNO2/c1-26(2,3)22-13-9-20(10-14-22)17-28(18-21-11-15-23(27)16-12-21)25(29)19-30-24-7-5-4-6-8-24/h4-16H,17-19H2,1-3H3
InChIKeyWXDPRFKUBYLQNW-UHFFFAOYSA-N
XLogP6.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[benzyl-[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl] methanesulfonate
CID 4527269
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857
N-tert-butyl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133262811
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
N-[4-[[[3-(aminomethyl)phenyl]methyl-(2-phenoxyacetyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23826240
(2S)-2-[[4-[2-[(4-chlorophenyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]phenyl]methyl]-2-ethoxybutanoic acid
CID 68857547
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
4-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 167786860
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide (CID 141107916) is N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide is CC(C)(C)c1ccc(CN(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide?
The InChIKey is WXDPRFKUBYLQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO2/c1-26(2,3)22-13-9-20(10-14-22)17-28(18-21-11-15-23(27)16-12-21)25(29)19-30-24-7-5-4-6-8-24/h4-16H,17-19H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide?
N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide has a molecular weight of 421.97 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 141107916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).