N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide

C20H24ClNO2 — CID 132652703

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24ClNO2/c1-14(15-9-11-16(12-10-15)20(2,3)4)22-19(23)13-24-18-8-6-5-7-17(18)21/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyBOMBKJBMYZDXBT-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.89
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide

N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 132652703) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
PubChem CID132652703
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24ClNO2/c1-14(15-9-11-16(12-10-15)20(2,3)4)22-19(23)13-24-18-8-6-5-7-17(18)21/h5-12,14H,13H2,1-4H3,(H,22,23)
InChIKeyBOMBKJBMYZDXBT-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
N-[3-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 42960826
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891946
2-(2-chlorophenoxy)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187818
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 132655775
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide (CID 132652703) is N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide is CC(NC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is BOMBKJBMYZDXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-14(15-9-11-16(12-10-15)20(2,3)4)22-19(23)13-24-18-8-6-5-7-17(18)21/h5-12,14H,13H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 345.87 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 132652703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).