2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide

C17H18N2O3 — CID 139130185

IUPAC2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccccc1O)/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O3/c1-12(18-11-13-6-2-4-8-15(13)20)10-19-17(22)14-7-3-5-9-16(14)21/h2-9,11-12,20-21H,10H2,1H3,(H,19,22)/b18-11+/t12-/m0/s1
InChIKeyPZHVPVVPGNBKLC-HWQJWEFDSA-N
MW298.34 g/mol
LogP2.34
Rot. Bonds5

About 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide

2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide (PubChem CID 139130185) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
PubChem CID139130185
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
SMILESC[C@@H](CNC(=O)c1ccccc1O)/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O3/c1-12(18-11-13-6-2-4-8-15(13)20)10-19-17(22)14-7-3-5-9-16(14)21/h2-9,11-12,20-21H,10H2,1H3,(H,19,22)/b18-11+/t12-/m0/s1
InChIKeyPZHVPVVPGNBKLC-HWQJWEFDSA-N
XLogP2.34
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2-[1-[1-(2-hydroxyphenyl)ethylideneamino]propan-2-yliminomethyl]phenol
CID 136707520
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
CID 115765209
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
N-[2-[(2,3-dihydroxyphenyl)methylideneamino]-2-methylpropyl]-2-hydroxybenzamide
CID 136671044
cobalt(3+);1-[(2-hydroxyphenyl)methylideneamino]propan-2-ylazanide;2-[(2-hydroxyphenyl)methylideneamino]propylazanide
CID 5255651
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
The IUPAC name of 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide (CID 139130185) is 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide is C[C@@H](CNC(=O)c1ccccc1O)/N=C/c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
The InChIKey is PZHVPVVPGNBKLC-HWQJWEFDSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(18-11-13-6-2-4-8-15(13)20)10-19-17(22)14-7-3-5-9-16(14)21/h2-9,11-12,20-21H,10H2,1H3,(H,19,22)/b18-11+/t12-/m0/s1.
What are the key properties of 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide?
2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide is sourced from PubChem (CID 139130185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).