[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate

C18H19NO3 — CID 138965852

IUPAC[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate
SMILESCC(=O)OCC[C@@H](/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(20)22-12-11-17(15-7-3-2-4-8-15)19-13-16-9-5-6-10-18(16)21/h2-10,13,17,21H,11-12H2,1H3/b19-13+/t17-/m1/s1
InChIKeyZKLHMCUBJMSRMF-HNMKQIAWSA-N
MW297.35 g/mol
LogP3.51
Rot. Bonds6

About [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate

[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate (PubChem CID 138965852) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate.

Molecular Properties

Compound Name[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate
PubChem CID138965852
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate
SMILESCC(=O)OCC[C@@H](/N=C/c1ccccc1O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(20)22-12-11-17(15-7-3-2-4-8-15)19-13-16-9-5-6-10-18(16)21/h2-10,13,17,21H,11-12H2,1H3/b19-13+/t17-/m1/s1
InChIKeyZKLHMCUBJMSRMF-HNMKQIAWSA-N
XLogP3.51
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate 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

2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430
[(3R)-3-phenylbutyl] acetate
CID 12598598
ethyl (4S,5S)-4,5-bis[(2-hydroxyphenyl)methylideneamino]-5-phenylpentanoate
CID 137288420
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
(3,4-dihydroxy-4-phenylbutyl) acetate
CID 123233142
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548
[3-(2-hydroxy-3,4-dimethylphenyl)-3-phenylpropyl] acetate
CID 85223537
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate?
The IUPAC name of [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate (CID 138965852) is [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate.
What is the SMILES notation for [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate?
The canonical SMILES for [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate is CC(=O)OCC[C@@H](/N=C/c1ccccc1O)c1ccccc1.
What is the InChIKey of [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate?
The InChIKey is ZKLHMCUBJMSRMF-HNMKQIAWSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(20)22-12-11-17(15-7-3-2-4-8-15)19-13-16-9-5-6-10-18(16)21/h2-10,13,17,21H,11-12H2,1H3/b19-13+/t17-/m1/s1.
What are the key properties of [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate?
[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate has a molecular weight of 297.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate is sourced from PubChem (CID 138965852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).