2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide

C14H19NO3 — CID 141266309

IUPAC2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide
SMILESCOOC(=Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C14H19NO3/c1-11(2)10-15-14(16)13(18-17-3)9-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyKXFPBAQZJBYKNH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.38
Rot. Bonds6

About 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide

2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide (PubChem CID 141266309) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide
PubChem CID141266309
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide
SMILESCOOC(=Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C14H19NO3/c1-11(2)10-15-14(16)13(18-17-3)9-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyKXFPBAQZJBYKNH-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide
CID 94262563
2-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
CID 3117713
(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
CID 46232496
bis(2-methylpropylcarbamic acid);triphenylstibane
CID 10348307
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
[(Z)-3-methoxy-3-oxo-1-phenylprop-1-en-2-yl] benzoate
CID 134873004
N',N'-dibenzyl-N-(2-methylpropyl)oxamide
CID 108504849

Frequently Asked Questions

What is the IUPAC name of 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide (CID 141266309) is 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide is COOC(=Cc1ccccc1)C(=O)NCC(C)C.
What is the InChIKey of 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide?
The InChIKey is KXFPBAQZJBYKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(2)10-15-14(16)13(18-17-3)9-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,15,16).
What are the key properties of 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide?
2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylperoxy-N-(2-methylpropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 141266309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).