N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C25H27N3O2 — CID 50854369

IUPACN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1ccn(C2CCCCC2)c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-24(25(30,21-10-4-1-5-11-21)22-12-6-2-7-13-22)27-26-18-20-16-17-28(19-20)23-14-8-3-9-15-23/h1-2,4-7,10-13,16-19,23,30H,3,8-9,14-15H2,(H,27,29)/b26-18-
InChIKeyKUDYWDUEIGCVNQ-ITYLOYPMSA-N
MW401.51 g/mol
LogP4.38
Rot. Bonds6

About N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 50854369) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID50854369
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1ccn(C2CCCCC2)c1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-24(25(30,21-10-4-1-5-11-21)22-12-6-2-7-13-22)27-26-18-20-16-17-28(19-20)23-14-8-3-9-15-23/h1-2,4-7,10-13,16-19,23,30H,3,8-9,14-15H2,(H,27,29)/b26-18-
InChIKeyKUDYWDUEIGCVNQ-ITYLOYPMSA-N
XLogP4.38
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.38
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)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
CID 50854504
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
CID 50854394
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
CID 50854256
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
CID 50854202
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 134094114
N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 50854462
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50854226
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-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
CID 50854108
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 50854369) is N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C\c1ccn(C2CCCCC2)c1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is KUDYWDUEIGCVNQ-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-24(25(30,21-10-4-1-5-11-21)22-12-6-2-7-13-22)27-26-18-20-16-17-28(19-20)23-14-8-3-9-15-23/h1-2,4-7,10-13,16-19,23,30H,3,8-9,14-15H2,(H,27,29)/b26-18-.
What are the key properties of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 401.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 50854369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).