N-methyl-2-(3-phenylprop-2-enoylamino)propanamide

C13H16N2O2 — CID 75266241

IUPACN-methyl-2-(3-phenylprop-2-enoylamino)propanamide
SMILESCNC(=O)C(C)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(13(17)14-2)15-12(16)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,17)(H,15,16)
InChIKeyHOGGROSMMLBAHZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.95
Rot. Bonds4

About N-methyl-2-(3-phenylprop-2-enoylamino)propanamide

N-methyl-2-(3-phenylprop-2-enoylamino)propanamide (PubChem CID 75266241) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-methyl-2-(3-phenylprop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylprop-2-enoylamino)propanamide
PubChem CID75266241
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-methyl-2-(3-phenylprop-2-enoylamino)propanamide
SMILESCNC(=O)C(C)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(13(17)14-2)15-12(16)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,17)(H,15,16)
InChIKeyHOGGROSMMLBAHZ-UHFFFAOYSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
methyl 4-[[(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]benzoate
CID 9068812
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-phenylprop-2-enoylamino)propanamide
CID 110908948
N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
CID 110877650
N-[3-(hydroxyamino)-4-oxobut-3-en-2-yl]-3-phenylprop-2-enamide
CID 176530208
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(2S)-N-[4-(cyanomethyl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9260813
(E)-N-[(2S)-1-oxo-1-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]propan-2-yl]-3-phenylprop-2-enamide
CID 9271834
N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55843820

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylprop-2-enoylamino)propanamide?
The IUPAC name of N-methyl-2-(3-phenylprop-2-enoylamino)propanamide (CID 75266241) is N-methyl-2-(3-phenylprop-2-enoylamino)propanamide.
What is the SMILES notation for N-methyl-2-(3-phenylprop-2-enoylamino)propanamide?
The canonical SMILES for N-methyl-2-(3-phenylprop-2-enoylamino)propanamide is CNC(=O)C(C)NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-methyl-2-(3-phenylprop-2-enoylamino)propanamide?
The InChIKey is HOGGROSMMLBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(13(17)14-2)15-12(16)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-methyl-2-(3-phenylprop-2-enoylamino)propanamide?
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide has a molecular weight of 232.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylprop-2-enoylamino)propanamide is sourced from PubChem (CID 75266241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).