(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

C20H24N2O2 — CID 135688091

IUPAC(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C20H24N2O2/c1-14(2)12-16-8-10-17(11-9-16)15(3)20(24)22-21-13-18-6-4-5-7-19(18)23/h4-11,13-15,23H,12H2,1-3H3,(H,22,24)/b21-13+/t15-/m1/s1
InChIKeySTOICWIMSJOAHB-NWGMWSOJSA-N
MW324.42 g/mol
LogP3.84
Rot. Bonds6

About (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 135688091) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID135688091
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C20H24N2O2/c1-14(2)12-16-8-10-17(11-9-16)15(3)20(24)22-21-13-18-6-4-5-7-19(18)23/h4-11,13-15,23H,12H2,1-3H3,(H,22,24)/b21-13+/t15-/m1/s1
InChIKeySTOICWIMSJOAHB-NWGMWSOJSA-N
XLogP3.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Gsk 4716
CID 5331325
Nsc204792
CID 135459102
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
2-hydroxy-N-[(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 267472
(4-Chloro-phenyl)-acetic acid (2-hydroxy-5-methyl-benzylidene)-hydrazide
CID 135531708
(4-Chloro-phenyl)-acetic acid (2-hydroxy-3-methyl-benzylidene)-hydrazide
CID 135531710
(4-Chloro-phenyl)-acetic acid (2-hydroxy-4-methyl-benzylidene)-hydrazide
CID 135531711
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135603353
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
Benzilic acid N-(2-hydroxybenzylidene)hydrazide
CID 135509615

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 135688091) is (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is STOICWIMSJOAHB-NWGMWSOJSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)12-16-8-10-17(11-9-16)15(3)20(24)22-21-13-18-6-4-5-7-19(18)23/h4-11,13-15,23H,12H2,1-3H3,(H,22,24)/b21-13+/t15-/m1/s1.
What are the key properties of (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 135688091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).