N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

C19H17N3O3 — CID 135420055

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C19H17N3O3/c23-17-8-6-15(18(24)10-17)11-21-22-19(25)12-20-16-7-5-13-3-1-2-4-14(13)9-16/h1-11,20,23-24H,12H2,(H,22,25)/b21-11+
InChIKeyAWFVVBWDNHBPMD-SRZZPIQSSA-N
MW335.36 g/mol
LogP2.81
Rot. Bonds5

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 135420055) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID135420055
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C19H17N3O3/c23-17-8-6-15(18(24)10-17)11-21-22-19(25)12-20-16-7-5-13-3-1-2-4-14(13)9-16/h1-11,20,23-24H,12H2,(H,22,25)/b21-11+
InChIKeyAWFVVBWDNHBPMD-SRZZPIQSSA-N
XLogP2.81
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'-(3,5-dibromo-2,4-dihydroxybenzylidene)-2-(naphthalen-2-ylamino)acetohydrazide
CID 135476586
CFTR Inhibitor II, GlyH-101
CID 136218970
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135504206
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135517103
4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135519910
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
US10196346, Example 5
CID 137136946
N-(4-Ethylphenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135531554

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (CID 135420055) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is AWFVVBWDNHBPMD-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-17-8-6-15(18(24)10-17)11-21-22-19(25)12-20-16-7-5-13-3-1-2-4-14(13)9-16/h1-11,20,23-24H,12H2,(H,22,25)/b21-11+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 135420055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).