2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide

C26H22N2O2 — CID 1376645

IUPAC2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
InChIKeyUXJFDYIHRJGPFS-CICSQNLLSA-N
MW394.47 g/mol
LogP5.79
Rot. Bonds5

About 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide

2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 1376645) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID1376645
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1
InChIKeyUXJFDYIHRJGPFS-CICSQNLLSA-N
XLogP5.79
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 ≤ 55.79
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 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide (CID 1376645) is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is UXJFDYIHRJGPFS-CICSQNLLSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+/t18-/m0/s1.
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide?
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 1376645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).