3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide

C23H25N3O — CID 118714237

IUPAC3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide
SMILESCCC/C(=N\N=C(/N)CC(O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-9-21(18-11-4-3-5-12-18)25-26-23(24)16-22(27)20-15-8-13-17-10-6-7-14-19(17)20/h3-8,10-15,22,27H,2,9,16H2,1H3,(H2,24,26)/b25-21+
InChIKeyPOVGJCLYBJAZHB-NJNXFGOHSA-N
MW359.47 g/mol
LogP4.82
Rot. Bonds7

About 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide

3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide (PubChem CID 118714237) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide.

Molecular Properties

Compound Name3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide
PubChem CID118714237
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide
SMILESCCC/C(=N\N=C(/N)CC(O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-9-21(18-11-4-3-5-12-18)25-26-23(24)16-22(27)20-15-8-13-17-10-6-7-14-19(17)20/h3-8,10-15,22,27H,2,9,16H2,1H3,(H2,24,26)/b25-21+
InChIKeyPOVGJCLYBJAZHB-NJNXFGOHSA-N
XLogP4.82
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(E)-2-[4-(1,2-dihydroxyethyl)phenyl]ethenyl]naphthalene-2-carboximidamide
CID 21186404
N'-[(E)-benzylideneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 49788263
3-hydroxy-3-(1-naphthyl)-N'-[(E)-p-tolylmethyleneamino]propanamidine
CID 118714226
3-hydroxy-3-(1-naphthyl)-N'-[(E)-[4-(trifluoromethyl)phenyl]methyleneamino]propanamidine
CID 118714227
N'-[(E)-(4-fluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714230
N'-[(E)-(3-bromophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714231
N'-[(E)-(2,4-difluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714232
N'-[(E)-(3,4-difluorophenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714233
N'-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 118714238
3-hydroxy-3-(2-naphthyl)-N'-[(E)-p-tolylmethyleneamino]propanamidine
CID 118714239
N'-[(E)-benzylideneamino]-3-hydroxy-3-(9-phenanthryl)propanamidine
CID 118714248
N'-[(E)-(4-fluorophenyl)methyleneamino]-3-hydroxy-3-(9-phenanthryl)propanamidine
CID 118714249

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide?
The IUPAC name of 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide (CID 118714237) is 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide.
What is the SMILES notation for 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide?
The canonical SMILES for 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide is CCC/C(=N\N=C(/N)CC(O)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide?
The InChIKey is POVGJCLYBJAZHB-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-9-21(18-11-4-3-5-12-18)25-26-23(24)16-22(27)20-15-8-13-17-10-6-7-14-19(17)20/h3-8,10-15,22,27H,2,9,16H2,1H3,(H2,24,26)/b25-21+.
What are the key properties of 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide?
3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide has a molecular weight of 359.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-naphthalen-1-yl-N'-[(E)-1-phenylbutylideneamino]propanimidamide is sourced from PubChem (CID 118714237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).