2-(4-tert-butyl-2-methoxyphenyl)propanamide

C14H21NO2 — CID 91547316

IUPAC2-(4-tert-butyl-2-methoxyphenyl)propanamide
SMILESCOc1cc(C(C)(C)C)ccc1C(C)C(N)=O
InChIInChI=1S/C14H21NO2/c1-9(13(15)16)11-7-6-10(14(2,3)4)8-12(11)17-5/h6-9H,1-5H3,(H2,15,16)
InChIKeyCYUCZGMPISFQFX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-tert-butyl-2-methoxyphenyl)propanamide

2-(4-tert-butyl-2-methoxyphenyl)propanamide (PubChem CID 91547316) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methoxyphenyl)propanamide
PubChem CID91547316
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(4-tert-butyl-2-methoxyphenyl)propanamide
SMILESCOc1cc(C(C)(C)C)ccc1C(C)C(N)=O
InChIInChI=1S/C14H21NO2/c1-9(13(15)16)11-7-6-10(14(2,3)4)8-12(11)17-5/h6-9H,1-5H3,(H2,15,16)
InChIKeyCYUCZGMPISFQFX-UHFFFAOYSA-N
XLogP2.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butyl-2-methoxyphenyl)propanamide 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

2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
2-amino-2-(4-tert-butyl-2-methylphenyl)acetamide
CID 116850789
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
2-amino-2-(5-tert-butyl-2-methoxyphenyl)-N-methylacetamide
CID 116850378
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
2-(5-tert-butyl-2-methoxyphenyl)-2-methylpropanoic acid
CID 82131491
4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
CID 139682030
4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
CID 121300586

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-tert-butyl-2-methoxyphenyl)propanamide (CID 91547316) is 2-(4-tert-butyl-2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-tert-butyl-2-methoxyphenyl)propanamide is COc1cc(C(C)(C)C)ccc1C(C)C(N)=O.
What is the InChIKey of 2-(4-tert-butyl-2-methoxyphenyl)propanamide?
The InChIKey is CYUCZGMPISFQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(13(15)16)11-7-6-10(14(2,3)4)8-12(11)17-5/h6-9H,1-5H3,(H2,15,16).
What are the key properties of 2-(4-tert-butyl-2-methoxyphenyl)propanamide?
2-(4-tert-butyl-2-methoxyphenyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methoxyphenyl)propanamide is sourced from PubChem (CID 91547316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).