N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide

C26H22N2O2 — CID 135800242

IUPACN-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)26(30)28-24-14-8-7-13-23(24)27-17-22-21-12-6-5-11-20(21)15-16-25(22)29/h2-18,29H,1H3,(H,28,30)/b27-17+
InChIKeyZGCMYXZRUAUAGI-WPWMEQJKSA-N
MW394.47 g/mol
LogP6.04
Rot. Bonds5

About N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide

N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide (PubChem CID 135800242) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
PubChem CID135800242
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC NameN-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)26(30)28-24-14-8-7-13-23(24)27-17-22-21-12-6-5-11-20(21)15-16-25(22)29/h2-18,29H,1H3,(H,28,30)/b27-17+
InChIKeyZGCMYXZRUAUAGI-WPWMEQJKSA-N
XLogP6.04
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
The IUPAC name of N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide (CID 135800242) is N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide.
What is the SMILES notation for N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
The canonical SMILES for N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide is CC(C(=O)Nc1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
The InChIKey is ZGCMYXZRUAUAGI-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)26(30)28-24-14-8-7-13-23(24)27-17-22-21-12-6-5-11-20(21)15-16-25(22)29/h2-18,29H,1H3,(H,28,30)/b27-17+.
What are the key properties of N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide has a molecular weight of 394.47 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide is sourced from PubChem (CID 135800242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).