N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide

C20H25FN2O — CID 109000452

IUPACN-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-20(2,3)17-6-4-5-7-18(17)23-19(24)14-22-13-12-15-8-10-16(21)11-9-15/h4-11,22H,12-14H2,1-3H3,(H,23,24)
InChIKeyVAEKZOIDIKMMOA-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.89
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide

N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide (PubChem CID 109000452) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
PubChem CID109000452
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-20(2,3)17-6-4-5-7-18(17)23-19(24)14-22-13-12-15-8-10-16(21)11-9-15/h4-11,22H,12-14H2,1-3H3,(H,23,24)
InChIKeyVAEKZOIDIKMMOA-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
N-(2-tert-butylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914752
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000450
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113198352
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide (CID 109000452) is N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide is CC(C)(C)c1ccccc1NC(=O)CNCCc1ccc(F)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The InChIKey is VAEKZOIDIKMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-20(2,3)17-6-4-5-7-18(17)23-19(24)14-22-13-12-15-8-10-16(21)11-9-15/h4-11,22H,12-14H2,1-3H3,(H,23,24).
What are the key properties of N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide?
N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide has a molecular weight of 328.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 109000452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).