N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide

C20H18N2O3 — CID 137166775

IUPACN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
SMILESC/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C20H18N2O3/c1-13(17-10-9-16(23)12-19(17)24)21-22-20(25)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,23-24H,11H2,1H3,(H,22,25)/b21-13-
InChIKeyGULABFDPESIVHE-BKUYFWCQSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds4

About N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide

N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 137166775) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID137166775
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
SMILESC/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C20H18N2O3/c1-13(17-10-9-16(23)12-19(17)24)21-22-20(25)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,23-24H,11H2,1H3,(H,22,25)/b21-13-
InChIKeyGULABFDPESIVHE-BKUYFWCQSA-N
XLogP3.33
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 5236846
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
CID 135576128
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673668
2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648810
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide
CID 136717836
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]decanamide
CID 4124156
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]acetamide
CID 136727512

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide (CID 137166775) is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide is C/C(=N/NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1O.
What is the InChIKey of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is GULABFDPESIVHE-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13(17-10-9-16(23)12-19(17)24)21-22-20(25)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-10,12,23-24H,11H2,1H3,(H,22,25)/b21-13-.
What are the key properties of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide?
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 334.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 137166775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).