4-(2-propan-2-yloxyphenyl)but-3-ynamide

C13H15NO2 — CID 170473356

IUPAC4-(2-propan-2-yloxyphenyl)but-3-ynamide
SMILESCC(C)Oc1ccccc1C#CCC(N)=O
InChIInChI=1S/C13H15NO2/c1-10(2)16-12-8-4-3-6-11(12)7-5-9-13(14)15/h3-4,6,8,10H,9H2,1-2H3,(H2,14,15)
InChIKeyCZUZASCWBQTJHN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.70
Rot. Bonds3

About 4-(2-propan-2-yloxyphenyl)but-3-ynamide

4-(2-propan-2-yloxyphenyl)but-3-ynamide (PubChem CID 170473356) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyphenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2-propan-2-yloxyphenyl)but-3-ynamide
PubChem CID170473356
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-(2-propan-2-yloxyphenyl)but-3-ynamide
SMILESCC(C)Oc1ccccc1C#CCC(N)=O
InChIInChI=1S/C13H15NO2/c1-10(2)16-12-8-4-3-6-11(12)7-5-9-13(14)15/h3-4,6,8,10H,9H2,1-2H3,(H2,14,15)
InChIKeyCZUZASCWBQTJHN-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-propan-2-yloxyphenyl)but-3-ynoate
CID 170469781
4-(3-amino-2-methylphenyl)but-3-ynamide
CID 170472767
4-(2,3-dimethylphenyl)but-3-ynamide
CID 170472579
4-(2,4-dimethoxyphenyl)but-3-ynamide
CID 170473317
(2S)-2-(2-but-1-ynylphenoxy)propan-1-ol
CID 70660537
2-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
CID 113393311
4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide
CID 170473611
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
4-(2-piperidin-1-ylphenyl)but-3-ynamide
CID 170473848
4-(3-methoxy-2-pyridinyl)but-3-ynamide
CID 170472810

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyphenyl)but-3-ynamide?
The IUPAC name of 4-(2-propan-2-yloxyphenyl)but-3-ynamide (CID 170473356) is 4-(2-propan-2-yloxyphenyl)but-3-ynamide.
What is the SMILES notation for 4-(2-propan-2-yloxyphenyl)but-3-ynamide?
The canonical SMILES for 4-(2-propan-2-yloxyphenyl)but-3-ynamide is CC(C)Oc1ccccc1C#CCC(N)=O.
What is the InChIKey of 4-(2-propan-2-yloxyphenyl)but-3-ynamide?
The InChIKey is CZUZASCWBQTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(2)16-12-8-4-3-6-11(12)7-5-9-13(14)15/h3-4,6,8,10H,9H2,1-2H3,(H2,14,15).
What are the key properties of 4-(2-propan-2-yloxyphenyl)but-3-ynamide?
4-(2-propan-2-yloxyphenyl)but-3-ynamide has a molecular weight of 217.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyphenyl)but-3-ynamide is sourced from PubChem (CID 170473356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).