N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide

C19H23N3O — CID 50854504

IUPACN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccn(C2CCCCC2)c1
InChIInChI=1S/C19H23N3O/c23-19(13-16-7-3-1-4-8-16)21-20-14-17-11-12-22(15-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-12,14-15,18H,2,5-6,9-10,13H2,(H,21,23)/b20-14-
InChIKeyIUFJZOZZJMEEQS-ZHZULCJRSA-N
MW309.41 g/mol
LogP3.69
Rot. Bonds5

About N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide

N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide (PubChem CID 50854504) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
PubChem CID50854504
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1ccn(C2CCCCC2)c1
InChIInChI=1S/C19H23N3O/c23-19(13-16-7-3-1-4-8-16)21-20-14-17-11-12-22(15-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-12,14-15,18H,2,5-6,9-10,13H2,(H,21,23)/b20-14-
InChIKeyIUFJZOZZJMEEQS-ZHZULCJRSA-N
XLogP3.69
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide 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

N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
CID 50854394
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 50854369
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
CID 50854256
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
CID 50854108
2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
CID 50854202
1-(1-cyclohexylpyrrol-3-yl)-N-naphthalen-1-ylmethanimine
CID 50854879
N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 50854462
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50854226
N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
CID 2841647
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
CID 4925063
(5E)-3-benzyl-5-[(1-cyclohexylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50854678

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide (CID 50854504) is N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C\c1ccn(C2CCCCC2)c1.
What is the InChIKey of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is IUFJZOZZJMEEQS-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(13-16-7-3-1-4-8-16)21-20-14-17-11-12-22(15-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-12,14-15,18H,2,5-6,9-10,13H2,(H,21,23)/b20-14-.
What are the key properties of N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide?
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 309.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 50854504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).