3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide

C21H21N3O2 — CID 118714241

IUPAC3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide
SMILESCOc1ccc(/C=N/N=C(\N)CC(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-19-10-6-15(7-11-19)14-23-24-21(22)13-20(25)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14,20,25H,13H2,1H3,(H2,22,24)/b23-14+
InChIKeyCDEVMVARDBMHPM-OEAKJJBVSA-N
MW347.42 g/mol
LogP3.66
Rot. Bonds6

About 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide

3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide (PubChem CID 118714241) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide.

Molecular Properties

Compound Name3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide
PubChem CID118714241
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide
SMILESCOc1ccc(/C=N/N=C(\N)CC(O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-19-10-6-15(7-11-19)14-23-24-21(22)13-20(25)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14,20,25H,13H2,1H3,(H2,22,24)/b23-14+
InChIKeyCDEVMVARDBMHPM-OEAKJJBVSA-N
XLogP3.66
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[(E)-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]methylideneamino]-3-hydroxy-3-phenanthren-9-ylpropanimidamide
CID 137651566
3-hydroxy-3-(1-naphthyl)-N'-[(E)-p-tolylmethyleneamino]propanamidine
CID 118714226
3-hydroxy-N'-[(E)-(4-methoxyphenyl)methyleneamino]-3-(1-naphthyl)propanamidine
CID 118714228
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)-(3-ethoxy-4-hydroxy-phenyl)methyleneamino]-3-hydroxy-3-(1-naphthyl)propanamidine
CID 137100889
3-hydroxy-N'-[2-(4-methoxyphenyl)ethyl]-3-phenanthren-9-ylpropanimidamide;hydrochloride
CID 168298362
N'-[(E)-(3-ethoxy-4-hydroxy-phenyl)methyleneamino]-3-hydroxy-3-(2-naphthyl)propanamidine
CID 137100890
1-{(E)-[(2E)-(4-methoxybenzylidene)hydrazinylidene]methyl}naphthalen-2-ol
CID 135549426
6-Methanimidoyl-2-[4-(trifluoromethoxy)benzenecarboximidoyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 130394480
(1-imino-6-methanimidoyl-3,4-dihydro-2H-naphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 130394481
3-hydroxy-N'-[2-(4-methoxyphenyl)ethyl]-3-phenanthren-9-ylpropanimidamide
CID 168294465

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide?
The IUPAC name of 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide (CID 118714241) is 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide.
What is the SMILES notation for 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide?
The canonical SMILES for 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide is COc1ccc(/C=N/N=C(\N)CC(O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide?
The InChIKey is CDEVMVARDBMHPM-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-19-10-6-15(7-11-19)14-23-24-21(22)13-20(25)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,14,20,25H,13H2,1H3,(H2,22,24)/b23-14+.
What are the key properties of 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide?
3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide has a molecular weight of 347.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[(E)-(4-methoxyphenyl)methylideneamino]-3-naphthalen-2-ylpropanimidamide is sourced from PubChem (CID 118714241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).