2-(2-methylprop-2-enylamino)-3-phenylpropanamide

C13H18N2O — CID 67567715

IUPAC2-(2-methylprop-2-enylamino)-3-phenylpropanamide
SMILESC=C(C)CNC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(2)9-15-12(13(14)16)8-11-6-4-3-5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H2,14,16)
InChIKeyDCVZKODANGNCTR-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.25
Rot. Bonds6

About 2-(2-methylprop-2-enylamino)-3-phenylpropanamide

2-(2-methylprop-2-enylamino)-3-phenylpropanamide (PubChem CID 67567715) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enylamino)-3-phenylpropanamide
PubChem CID67567715
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2-methylprop-2-enylamino)-3-phenylpropanamide
SMILESC=C(C)CNC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(2)9-15-12(13(14)16)8-11-6-4-3-5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H2,14,16)
InChIKeyDCVZKODANGNCTR-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2S)-3-phenyl-2-(propylamino)propanamide;yttrium
CID 59021356
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
CID 70091345
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
benzyl (2R)-2-[(3-methyl-2-methylidenebutyl)amino]-3-phenylpropanoate
CID 132989949
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)-3-phenylpropanamide?
The IUPAC name of 2-(2-methylprop-2-enylamino)-3-phenylpropanamide (CID 67567715) is 2-(2-methylprop-2-enylamino)-3-phenylpropanamide.
What is the SMILES notation for 2-(2-methylprop-2-enylamino)-3-phenylpropanamide?
The canonical SMILES for 2-(2-methylprop-2-enylamino)-3-phenylpropanamide is C=C(C)CNC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-(2-methylprop-2-enylamino)-3-phenylpropanamide?
The InChIKey is DCVZKODANGNCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)9-15-12(13(14)16)8-11-6-4-3-5-7-11/h3-7,12,15H,1,8-9H2,2H3,(H2,14,16).
What are the key properties of 2-(2-methylprop-2-enylamino)-3-phenylpropanamide?
2-(2-methylprop-2-enylamino)-3-phenylpropanamide has a molecular weight of 218.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylamino)-3-phenylpropanamide is sourced from PubChem (CID 67567715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).