2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide

C23H21N3O5 — CID 1113261

IUPAC2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide
SMILESCOc1ccc(C(C)=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O5/c1-16(17-13-14-21(31-2)20(15-17)26(29)30)24-25-22(27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,28H,1-2H3,(H,25,27)
InChIKeyFQWBFBMISIIRFL-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.38
Rot. Bonds7

About 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide (PubChem CID 1113261) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide
PubChem CID1113261
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide
SMILESCOc1ccc(C(C)=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21N3O5/c1-16(17-13-14-21(31-2)20(15-17)26(29)30)24-25-22(27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,28H,1-2H3,(H,25,27)
InChIKeyFQWBFBMISIIRFL-UHFFFAOYSA-N
XLogP3.38
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
CID 5334872
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide
CID 126365422
N-[1-(4-aminophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4215253
(3S,4R)-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 1015447
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
2-hydroxy-N-[1-(3-methylphenyl)ethylideneamino]-2,2-diphenylacetamide
CID 3337584
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
CID 3493756

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide (CID 1113261) is 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide is COc1ccc(C(C)=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide?
The InChIKey is FQWBFBMISIIRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-16(17-13-14-21(31-2)20(15-17)26(29)30)24-25-22(27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,28H,1-2H3,(H,25,27).
What are the key properties of 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide has a molecular weight of 419.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 1113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).