N-(2-methylprop-2-enyl)-3-phenylpropanamide

C13H17NO — CID 11469759

IUPACN-(2-methylprop-2-enyl)-3-phenylpropanamide
SMILESC=C(C)CNC(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3,(H,14,15)
InChIKeyQVNPGNUCZPFKNZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.31
Rot. Bonds5

About N-(2-methylprop-2-enyl)-3-phenylpropanamide

N-(2-methylprop-2-enyl)-3-phenylpropanamide (PubChem CID 11469759) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3-phenylpropanamide
PubChem CID11469759
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(2-methylprop-2-enyl)-3-phenylpropanamide
SMILESC=C(C)CNC(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3,(H,14,15)
InChIKeyQVNPGNUCZPFKNZ-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
CID 170949279
methyl 2-(3-phenylpropanoylamino)acetate
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N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
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CID 108573772
N-[(E)-pent-3-enyl]-3-phenylpropanamide
CID 101244691
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
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N-benzyl-2-(2-methylprop-2-enylamino)acetamide
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N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3-phenylpropanamide?
The IUPAC name of N-(2-methylprop-2-enyl)-3-phenylpropanamide (CID 11469759) is N-(2-methylprop-2-enyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-3-phenylpropanamide is C=C(C)CNC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3-phenylpropanamide?
The InChIKey is QVNPGNUCZPFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3,(H,14,15).
What are the key properties of N-(2-methylprop-2-enyl)-3-phenylpropanamide?
N-(2-methylprop-2-enyl)-3-phenylpropanamide has a molecular weight of 203.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-3-phenylpropanamide is sourced from PubChem (CID 11469759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).