2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide

C15H19NO2 — CID 94266199

IUPAC2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H19NO2/c1-4-9-16-15(18)14(17)13-7-5-12(6-8-13)10-11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,18)
InChIKeyAOJDJZSAANXGHZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide

2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide (PubChem CID 94266199) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide
PubChem CID94266199
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H19NO2/c1-4-9-16-15(18)14(17)13-7-5-12(6-8-13)10-11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,18)
InChIKeyAOJDJZSAANXGHZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-2-oxo-N-prop-2-enylacetamide
CID 82113874
N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide
CID 2585461
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
amino 4-(2-methylpropyl)benzoate
CID 163714335
2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
CID 112512195
1-[4-(2-methylpropyl)phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 53434068
1-(2-methylpropyl)-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]benzene
CID 143670977
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822174

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide (CID 94266199) is 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide is C=CCNC(=O)C(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide?
The InChIKey is AOJDJZSAANXGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-9-16-15(18)14(17)13-7-5-12(6-8-13)10-11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,16,18).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide?
2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide has a molecular weight of 245.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-2-oxo-N-prop-2-enylacetamide is sourced from PubChem (CID 94266199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).