2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide

C25H25N3O2 — CID 1281852

IUPAC2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
SMILESO=C(NN=Cc1ccc(N2CCCC2)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(25(30,21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-26-19-20-13-15-23(16-14-20)28-17-7-8-18-28/h1-6,9-16,19,30H,7-8,17-18H2,(H,27,29)
InChIKeyIGYVFOAQFTZLOQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.67
Rot. Bonds6

About 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide

2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide (PubChem CID 1281852) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
PubChem CID1281852
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
SMILESO=C(NN=Cc1ccc(N2CCCC2)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(25(30,21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-26-19-20-13-15-23(16-14-20)28-17-7-8-18-28/h1-6,9-16,19,30H,7-8,17-18H2,(H,27,29)
InChIKeyIGYVFOAQFTZLOQ-UHFFFAOYSA-N
XLogP3.67
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6154296
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
methyl 4-[[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]benzoate
CID 3753828
2-hydroxy-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 126027173
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
3-hydroxy-N-[(4-piperidin-1-ylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4045679
2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
N-[[3,5-diiodo-4-(methylamino)phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3556040
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6882140
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 50854369
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 134094114

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide (CID 1281852) is 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is O=C(NN=Cc1ccc(N2CCCC2)cc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
The InChIKey is IGYVFOAQFTZLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(25(30,21-9-3-1-4-10-21)22-11-5-2-6-12-22)27-26-19-20-13-15-23(16-14-20)28-17-7-8-18-28/h1-6,9-16,19,30H,7-8,17-18H2,(H,27,29).
What are the key properties of 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide?
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1281852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).