N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide

C21H20N2O3 — CID 5334451

IUPACN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOC1=C(C2=CC=CC=C2C=C1)/C=N/NC(=O)C(C3=CC=CC=C3)O
InChIInChI=1S/C21H20N2O3/c1-2-26-19-13-12-15-8-6-7-11-17(15)18(19)14-22-23-21(25)20(24)16-9-4-3-5-10-16/h3-14,20,24H,2H2,1H3,(H,23,25)/b22-14+
InChIKeyBGWOIPCGODMSAP-HYARGMPZSA-N
MW348.40 g/mol
LogP3.80
Rot. Bonds6

About N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 5334451) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID5334451
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOC1=C(C2=CC=CC=C2C=C1)/C=N/NC(=O)C(C3=CC=CC=C3)O
InChIInChI=1S/C21H20N2O3/c1-2-26-19-13-12-15-8-6-7-11-17(15)18(19)14-22-23-21(25)20(24)16-9-4-3-5-10-16/h3-14,20,24H,2H2,1H3,(H,23,25)/b22-14+
InChIKeyBGWOIPCGODMSAP-HYARGMPZSA-N
XLogP3.80
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity476

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 5334451) is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide is CCOC1=C(C2=CC=CC=C2C=C1)/C=N/NC(=O)C(C3=CC=CC=C3)O.
What is the InChIKey of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is BGWOIPCGODMSAP-HYARGMPZSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-26-19-13-12-15-8-6-7-11-17(15)18(19)14-22-23-21(25)20(24)16-9-4-3-5-10-16/h3-14,20,24H,2H2,1H3,(H,23,25)/b22-14+.
What are the key properties of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 348.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 5334451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).