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

C25H20N2O2 — CID 135672016

IUPACN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-25(29)24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,24,28H,(H,27,29)/b26-17-
InChIKeyWKLBAHUYLGLYHA-ONUIUJJFSA-N
MW380.45 g/mol
LogP4.83
Rot. Bonds5

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

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 135672016) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
PubChem CID135672016
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-25(29)24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,24,28H,(H,27,29)/b26-17-
InChIKeyWKLBAHUYLGLYHA-ONUIUJJFSA-N
XLogP4.83
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide (CID 135672016) is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C\c1c(O)ccc2ccccc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is WKLBAHUYLGLYHA-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-25(29)24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,24,28H,(H,27,29)/b26-17-.
What are the key properties of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 380.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 135672016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).