(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide

C21H20N2O3 — CID 135794374

IUPAC(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESC/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C21H20N2O3/c1-14(19-9-5-6-10-20(19)24)22-23-21(25)15(2)26-18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,24H,1-2H3,(H,23,25)/b22-14+/t15-/m1/s1
InChIKeyOKQBKPDZHNBPGM-QQHUYRGFSA-N
MW348.40 g/mol
LogP3.85
Rot. Bonds5

About (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide

(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 135794374) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID135794374
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESC/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C21H20N2O3/c1-14(19-9-5-6-10-20(19)24)22-23-21(25)15(2)26-18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,24H,1-2H3,(H,23,25)/b22-14+/t15-/m1/s1
InChIKeyOKQBKPDZHNBPGM-QQHUYRGFSA-N
XLogP3.85
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]propanamide
CID 135615501
(2R)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 8757489
5-[(Z)-C-methyl-N-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbonimidoyl]thiophene-2-carboxylate
CID 8860888
(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 8757437
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 136759335
N-[(E)-heptan-3-ylideneamino]-2-naphthalen-2-yloxypropanamide
CID 54784974
(2S)-N-(3-acetamidophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561585
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2R)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 136715537

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide (CID 135794374) is (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide is C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1O.
What is the InChIKey of (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is OKQBKPDZHNBPGM-QQHUYRGFSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(19-9-5-6-10-20(19)24)22-23-21(25)15(2)26-18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,24H,1-2H3,(H,23,25)/b22-14+/t15-/m1/s1.
What are the key properties of (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide?
(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 348.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 135794374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).