N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C21H22N2O2 — CID 5390946

IUPACN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\[C@@H]1CC=CCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(23-22-16-17-10-4-1-5-11-17)21(25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-4,6-9,12-17,25H,5,10-11H2,(H,23,24)/b22-16-/t17-/m1/s1
InChIKeyHLAAUUBZBPYYEZ-VULIGXMUSA-N
MW334.42 g/mol
LogP3.38
Rot. Bonds5

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

N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 5390946) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID5390946
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\[C@@H]1CC=CCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-20(23-22-16-17-10-4-1-5-11-17)21(25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-4,6-9,12-17,25H,5,10-11H2,(H,23,24)/b22-16-/t17-/m1/s1
InChIKeyHLAAUUBZBPYYEZ-VULIGXMUSA-N
XLogP3.38
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6982485
N-(cyclohex-3-en-1-ylmethylideneamino)-2-naphthalen-2-yloxyacetamide
CID 5202490
2-hydroxy-N-(2-methylpropylideneamino)-2,2-diphenylacetamide
CID 4547261
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 7310058
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-2-hydroxy-2,2-diphenylacetamide
CID 4087738
(3S)-N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9238112
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide
CID 3570493
N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
CID 2847162
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337371
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078711
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
CID 6744568

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 5390946) is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C\[C@@H]1CC=CCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is HLAAUUBZBPYYEZ-VULIGXMUSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(23-22-16-17-10-4-1-5-11-17)21(25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-4,6-9,12-17,25H,5,10-11H2,(H,23,24)/b22-16-/t17-/m1/s1.
What are the key properties of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 5390946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).