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

C20H24N2O2 — CID 135764403

IUPAC(2S)-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-/m0/s1
InChIKeySTOICWIMSJOAHB-PCXKXAPESA-N
MW324.42 g/mol
LogP3.84
Rot. Bonds6

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

(2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 135764403) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID135764403
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-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-/m0/s1
InChIKeySTOICWIMSJOAHB-PCXKXAPESA-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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135400268
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 136742632
N-[(E)-furan-2-ylmethylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 75202374
(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 793131
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136662783
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 177413584
(2S)-N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135958667
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 135764403) is (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2S)-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 (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is STOICWIMSJOAHB-PCXKXAPESA-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-/m0/s1.
What are the key properties of (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2S)-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 (2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 135764403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).