N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide

C21H20N2O3 — CID 5236846

IUPACN-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1cc(C(C)=NNC(=O)Cc2cccc3ccccc23)ccc1O
InChIInChI=1S/C21H20N2O3/c1-14(16-10-11-19(24)20(12-16)26-2)22-23-21(25)13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,24H,13H2,1-2H3,(H,23,25)
InChIKeyUIFFPWUZUKGDDA-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.64
Rot. Bonds5

About N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide

N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 5236846) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID5236846
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1cc(C(C)=NNC(=O)Cc2cccc3ccccc23)ccc1O
InChIInChI=1S/C21H20N2O3/c1-14(16-10-11-19(24)20(12-16)26-2)22-23-21(25)13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,24H,13H2,1-2H3,(H,23,25)
InChIKeyUIFFPWUZUKGDDA-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4645789
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
3,4,5-triethoxy-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 3718576
4-hydroxy-3-methoxy-N-[1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 24818435
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
N'-[2-(5-acetyl-2-methoxyphenyl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 41264139
cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135593441
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1417921
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide (CID 5236846) is N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide is COc1cc(C(C)=NNC(=O)Cc2cccc3ccccc23)ccc1O.
What is the InChIKey of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is UIFFPWUZUKGDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(16-10-11-19(24)20(12-16)26-2)22-23-21(25)13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,24H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 348.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5236846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).