N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide

C26H22N2O2 — CID 135659046

IUPACN-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
InChIKeyHQSSEGBEYORUBY-WPWMEQJKSA-N
MW394.47 g/mol
LogP6.04
Rot. Bonds5

About N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide

N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide (PubChem CID 135659046) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
PubChem CID135659046
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC NameN-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+
InChIKeyHQSSEGBEYORUBY-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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Related Compounds

Sirtinol
CID 2827646
N-(4-{[(E)-(2-hydroxy-1-naphthyl)methylidene]amino}phenyl)acetamide
CID 796792
Meta-sirtinol
CID 135461039
Para-sirtinol
CID 135491748
(S)-sirtinol
CID 1376645
(R)-sirtinol
CID 1376646
4-((E)-{[4-(acetylamino)phenyl]imino}methyl)-3-hydroxy-N-phenyl-2-naphthamide
CID 135439750
N-methyl-N-[4-[(2-oxo-1-naphthalenylidene)methylamino]phenyl]acetamide
CID 801047
N-[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide
CID 135800242
N-[4-[[(2-Hydroxy-1-naphthalenyl)methylene]amino]phenyl]-alpha-methylbenzeneacetamide
CID 136236340
N-(3-aminophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 481482
2-Hydroxy-6-(3-hydroxyphenyl)-N-phenyl-1-naphthamide
CID 24949708

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
The IUPAC name of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide (CID 135659046) is N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide.
What is the SMILES notation for N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
The canonical SMILES for N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide is CC(C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1.
What is the InChIKey of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
The InChIKey is HQSSEGBEYORUBY-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)/b27-17+.
What are the key properties of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide?
N-[3-[(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-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide is sourced from PubChem (CID 135659046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).