2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide

C25H20N2O3 — CID 1269543

IUPAC2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O3/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(29)25(30,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,28,30H,(H,27,29)
InChIKeyAAGYRKOGAJKWNN-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.93
Rot. Bonds5

About 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 1269543) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
PubChem CID1269543
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O3/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(29)25(30,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,28,30H,(H,27,29)
InChIKeyAAGYRKOGAJKWNN-UHFFFAOYSA-N
XLogP3.93
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide (CID 1269543) is 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide is O=C(NN=Cc1c(O)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is AAGYRKOGAJKWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(29)25(30,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,28,30H,(H,27,29).
What are the key properties of 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 396.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 1269543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).