3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide

C15H21NO — CID 174971190

IUPAC3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide
SMILESCC(C)c1ccc(C=CC(N)=O)c(C(C)C)c1
InChIInChI=1S/C15H21NO/c1-10(2)13-6-5-12(7-8-15(16)17)14(9-13)11(3)4/h5-11H,1-4H3,(H2,16,17)
InChIKeyIVYXXSNWVHSKOF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.43
Rot. Bonds4

About 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide

3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide (PubChem CID 174971190) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide
PubChem CID174971190
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide
SMILESCC(C)c1ccc(C=CC(N)=O)c(C(C)C)c1
InChIInChI=1S/C15H21NO/c1-10(2)13-6-5-12(7-8-15(16)17)14(9-13)11(3)4/h5-11H,1-4H3,(H2,16,17)
InChIKeyIVYXXSNWVHSKOF-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide (CID 174971190) is 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide is CC(C)c1ccc(C=CC(N)=O)c(C(C)C)c1.
What is the InChIKey of 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide?
The InChIKey is IVYXXSNWVHSKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)13-6-5-12(7-8-15(16)17)14(9-13)11(3)4/h5-11H,1-4H3,(H2,16,17).
What are the key properties of 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide?
3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(propan-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 174971190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).