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

C21H25NO3 — CID 77384959

IUPACN-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
SMILESCC(CO)OCC(Cc1ccccc1)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C21H25NO3/c1-17(15-23)25-16-20(14-19-10-6-3-7-11-19)22-21(24)13-12-18-8-4-2-5-9-18/h2-13,17,20,23H,14-16H2,1H3,(H,22,24)
InChIKeyYRQTXYCHHXXZEE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.82
Rot. Bonds9

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

N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide (PubChem CID 77384959) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
PubChem CID77384959
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
SMILESCC(CO)OCC(Cc1ccccc1)NC(=O)C=Cc1ccccc1
InChIInChI=1S/C21H25NO3/c1-17(15-23)25-16-20(14-19-10-6-3-7-11-19)22-21(24)13-12-18-8-4-2-5-9-18/h2-13,17,20,23H,14-16H2,1H3,(H,22,24)
InChIKeyYRQTXYCHHXXZEE-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-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

(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 137349985
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-N-[(2R)-1-[4-(hydroxycarbamothioyl)phenoxy]-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
CID 87641551
N-[(2R)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide
CID 159049169
3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 6247145
(2R)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 92523935
(E)-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 102096307
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide (CID 77384959) is N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide is CC(CO)OCC(Cc1ccccc1)NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is YRQTXYCHHXXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-17(15-23)25-16-20(14-19-10-6-3-7-11-19)22-21(24)13-12-18-8-4-2-5-9-18/h2-13,17,20,23H,14-16H2,1H3,(H,22,24).
What are the key properties of N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide?
N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxypropan-2-yloxy)-3-phenylpropan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 77384959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).