N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C30H28N2O4 — CID 4008374

IUPACN-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C30H28N2O4/c1-2-35-28-20-24(18-19-27(28)36-22-23-12-6-3-7-13-23)21-31-32-29(33)30(34,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,34H,2,22H2,1H3,(H,32,33)
InChIKeyCFQDFJVSEVHVIA-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.05
Rot. Bonds10

About N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 4008374) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID4008374
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC NameN-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C30H28N2O4/c1-2-35-28-20-24(18-19-27(28)36-22-23-12-6-3-7-13-23)21-31-32-29(33)30(34,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,34H,2,22H2,1H3,(H,32,33)
InChIKeyCFQDFJVSEVHVIA-UHFFFAOYSA-N
XLogP5.05
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 55.05
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-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5498937
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 126257098
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126273066
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94829935

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 4008374) is N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is CFQDFJVSEVHVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-2-35-28-20-24(18-19-27(28)36-22-23-12-6-3-7-13-23)21-31-32-29(33)30(34,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,34H,2,22H2,1H3,(H,32,33).
What are the key properties of N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 480.56 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 4008374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).