N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide

C12H15NO2 — CID 79023633

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
SMILESC[C@@H](CO)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(9-14)13-12(15)8-7-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyFCIUATHUXGLRRQ-JTQLQIEISA-N
MW205.26 g/mol
LogP1.20
Rot. Bonds4

About N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide

N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide (PubChem CID 79023633) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
PubChem CID79023633
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
SMILESC[C@@H](CO)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(9-14)13-12(15)8-7-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyFCIUATHUXGLRRQ-JTQLQIEISA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-(1-hydroxypropan-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 43419229
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 6078411
(2R)-3-methyl-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79011095
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857442

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide (CID 79023633) is N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide is C[C@@H](CO)NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is FCIUATHUXGLRRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(9-14)13-12(15)8-7-11-5-3-2-4-6-11/h2-8,10,14H,9H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 79023633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).