2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide

C16H21NO2 — CID 134038041

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C16H21NO2/c1-6-9-17-16(18)13(5)19-15-10-12(4)7-8-14(15)11(2)3/h1,7-8,10-11,13H,9H2,2-5H3,(H,17,18)
InChIKeySDJYIOAOGUBVFW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide (PubChem CID 134038041) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
PubChem CID134038041
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C16H21NO2/c1-6-9-17-16(18)13(5)19-15-10-12(4)7-8-14(15)11(2)3/h1,7-8,10-11,13H,9H2,2-5H3,(H,17,18)
InChIKeySDJYIOAOGUBVFW-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide 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-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 63368172
2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 133202318
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
CID 63326039
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide (CID 134038041) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide?
The InChIKey is SDJYIOAOGUBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-6-9-17-16(18)13(5)19-15-10-12(4)7-8-14(15)11(2)3/h1,7-8,10-11,13H,9H2,2-5H3,(H,17,18).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 134038041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).