N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide

C19H22N2O3 — CID 135519349

IUPACN-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1ccc(O)c(/C=N/NC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-7-8-17(23)14(11-15)12-20-21-18(24)10-13-5-4-6-16(22)9-13/h4-9,11-12,22-23H,10H2,1-3H3,(H,21,24)/b20-12+
InChIKeyFCPBMRVDPIXIFV-UDWIEESQSA-N
MW326.40 g/mol
LogP3.09
Rot. Bonds4

About N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide

N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (PubChem CID 135519349) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
PubChem CID135519349
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1ccc(O)c(/C=N/NC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-7-8-17(23)14(11-15)12-20-21-18(24)10-13-5-4-6-16(22)9-13/h4-9,11-12,22-23H,10H2,1-3H3,(H,21,24)/b20-12+
InChIKeyFCPBMRVDPIXIFV-UDWIEESQSA-N
XLogP3.09
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 136801961
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135502640
N-[(E)-(2-fluoro-4-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135513103
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 11573346
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
4-hydroxy-2-methoxybenzaldehyde;N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide;2-(3-hydroxyphenyl)acetohydrazide
CID 158711619
N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 136644816
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168015
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033660
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide (CID 135519349) is N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is CC(C)(C)c1ccc(O)c(/C=N/NC(=O)Cc2cccc(O)c2)c1.
What is the InChIKey of N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is FCPBMRVDPIXIFV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)15-7-8-17(23)14(11-15)12-20-21-18(24)10-13-5-4-6-16(22)9-13/h4-9,11-12,22-23H,10H2,1-3H3,(H,21,24)/b20-12+.
What are the key properties of N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide?
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 135519349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).