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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Related Compounds

ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
CID 70427358
1-[4-(4-tert-butylphenyl)buta-1,3-dienyl]-2,4-di(propan-2-yl)benzene
CID 173031332
(4-propan-2-ylphenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832284
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
2,4-di(propan-2-yl)phenol
CID 18048
methyl 4-(3-amino-3-oxoprop-1-enyl)-3-hydroxybenzoate
CID 169482783
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
3-[4-ethyl-2,5-di(propan-2-yl)phenyl]prop-2-enoic acid
CID 70015103
(E)-3-(4-amino-2-hydroxyphenyl)prop-2-enamide
CID 21184788
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
2-[2-amino-2-[2,4-di(propan-2-yl)phenyl]ethoxy]acetamide
CID 61328573

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).