N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C25H26N2O4 — CID 5498937

IUPACN-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H26N2O4/c1-3-30-22-16-15-19(17-23(22)31-4-2)18-26-27-24(28)25(29,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,29H,3-4H2,1-2H3,(H,27,28)/b26-18-
InChIKeyLCRBLGQBWNQFDM-ITYLOYPMSA-N
MW418.49 g/mol
LogP3.87
Rot. Bonds9

About N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 5498937) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID5498937
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC
InChIInChI=1S/C25H26N2O4/c1-3-30-22-16-15-19(17-23(22)31-4-2)18-26-27-24(28)25(29,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,29H,3-4H2,1-2H3,(H,27,28)/b26-18-
InChIKeyLCRBLGQBWNQFDM-ITYLOYPMSA-N
XLogP3.87
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4008374
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 9073708
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3983717
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 134094114
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
N-[(3,4-diethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1350700
2-[2-ethoxy-4-[(E)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 21209460
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 5498937) is N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC.
What is the InChIKey of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is LCRBLGQBWNQFDM-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-30-22-16-15-19(17-23(22)31-4-2)18-26-27-24(28)25(29,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,29H,3-4H2,1-2H3,(H,27,28)/b26-18-.
What are the key properties of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 418.49 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 5498937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).