2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide

C20H25NO2 — CID 53283091

IUPAC2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25NO2/c1-15-6-5-7-16(12-15)13-21-19(22)14-23-18-10-8-17(9-11-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyKIXKOCOHSXHEIQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide

2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 53283091) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID53283091
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H25NO2/c1-15-6-5-7-16(12-15)13-21-19(22)14-23-18-10-8-17(9-11-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyKIXKOCOHSXHEIQ-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 111439460
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977668

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide (CID 53283091) is 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is KIXKOCOHSXHEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-6-5-7-16(12-15)13-21-19(22)14-23-18-10-8-17(9-11-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53283091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).