N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide

C18H20N2O3 — CID 136727514

IUPACN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(C)cc1C)c1cc(O)ccc1O
InChIInChI=1S/C18H20N2O3/c1-11-4-5-14(12(2)8-11)9-18(23)20-19-13(3)16-10-15(21)6-7-17(16)22/h4-8,10,21-22H,9H2,1-3H3,(H,20,23)/b19-13-
InChIKeyAARFFQHGXCYTGA-UYRXBGFRSA-N
MW312.37 g/mol
LogP2.80
Rot. Bonds4

About N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 136727514) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID136727514
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(C)cc1C)c1cc(O)ccc1O
InChIInChI=1S/C18H20N2O3/c1-11-4-5-14(12(2)8-11)9-18(23)20-19-13(3)16-10-15(21)6-7-17(16)22/h4-8,10,21-22H,9H2,1-3H3,(H,20,23)/b19-13-
InChIKeyAARFFQHGXCYTGA-UYRXBGFRSA-N
XLogP2.80
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]acetamide
CID 136727512
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657750
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143871
N-[(E)-1-(3,5-diethylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170971
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
CID 139074548
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide
CID 135907364
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 136727514) is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide is C/C(=N/NC(=O)Cc1ccc(C)cc1C)c1cc(O)ccc1O.
What is the InChIKey of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is AARFFQHGXCYTGA-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-4-5-14(12(2)8-11)9-18(23)20-19-13(3)16-10-15(21)6-7-17(16)22/h4-8,10,21-22H,9H2,1-3H3,(H,20,23)/b19-13-.
What are the key properties of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 136727514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).