N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide

C23H22N2O3 — CID 135907364

IUPACN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide
SMILESC/C(=N/NC(=O)CC(c1ccccc1)c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C23H22N2O3/c1-16(20-14-19(26)12-13-22(20)27)24-25-23(28)15-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21,26-27H,15H2,1H3,(H,25,28)/b24-16-
InChIKeyPNIDBGFOGQPXFM-JLPGSUDCSA-N
MW374.44 g/mol
LogP4.16
Rot. Bonds6

About N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide

N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide (PubChem CID 135907364) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide
PubChem CID135907364
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide
SMILESC/C(=N/NC(=O)CC(c1ccccc1)c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C23H22N2O3/c1-16(20-14-19(26)12-13-22(20)27)24-25-23(28)15-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21,26-27H,15H2,1H3,(H,25,28)/b24-16-
InChIKeyPNIDBGFOGQPXFM-JLPGSUDCSA-N
XLogP4.16
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.16
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

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727514
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3093085
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzene-1,4-diol
CID 135589061
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 136762982
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide?
The IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide (CID 135907364) is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide is C/C(=N/NC(=O)CC(c1ccccc1)c1ccccc1)c1cc(O)ccc1O.
What is the InChIKey of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide?
The InChIKey is PNIDBGFOGQPXFM-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16(20-14-19(26)12-13-22(20)27)24-25-23(28)15-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21,26-27H,15H2,1H3,(H,25,28)/b24-16-.
What are the key properties of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide?
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-3,3-diphenylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 4.16, 6 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]-3,3-diphenylpropanamide is sourced from PubChem (CID 135907364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).