2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide

C23H31NO2 — CID 132653395

IUPAC2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C23H31NO2/c1-7-21(20-13-8-16(2)14-17(20)3)24-22(25)15-26-19-11-9-18(10-12-19)23(4,5)6/h8-14,21H,7,15H2,1-6H3,(H,24,25)
InChIKeyQDFSQADLAWHQQR-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.25
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide

2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 132653395) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID132653395
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C23H31NO2/c1-7-21(20-13-8-16(2)14-17(20)3)24-22(25)15-26-19-11-9-18(10-12-19)23(4,5)6/h8-14,21H,7,15H2,1-6H3,(H,24,25)
InChIKeyQDFSQADLAWHQQR-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133251756
N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652053
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 99993779
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30254324
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide (CID 132653395) is 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is QDFSQADLAWHQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-7-21(20-13-8-16(2)14-17(20)3)24-22(25)15-26-19-11-9-18(10-12-19)23(4,5)6/h8-14,21H,7,15H2,1-6H3,(H,24,25).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide?
2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 5.25, 6 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-[1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 132653395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).