N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide

C18H26N4O2 — CID 5407176

IUPACN-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C18H26N4O2/c1-15(23)20-17-9-7-16(8-10-17)13-19-21-18(24)14-22-11-5-3-2-4-6-12-22/h7-10,13H,2-6,11-12,14H2,1H3,(H,20,23)(H,21,24)/b19-13-
InChIKeyIMMXTSGHEBCRTA-UYRXBGFRSA-N
MW330.43 g/mol
LogP2.36
Rot. Bonds5

About N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide

N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide (PubChem CID 5407176) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
PubChem CID5407176
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C18H26N4O2/c1-15(23)20-17-9-7-16(8-10-17)13-19-21-18(24)14-22-11-5-3-2-4-6-12-22/h7-10,13H,2-6,11-12,14H2,1H3,(H,20,23)(H,21,24)/b19-13-
InChIKeyIMMXTSGHEBCRTA-UYRXBGFRSA-N
XLogP2.36
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.36
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'}

Analyze N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide 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-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[(4-acetamidophenyl)methylideneamino]-2-hydroxyacetamide
CID 20982377
2-(azocan-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 6894538
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
N-[(4-acetamidophenyl)methylideneamino]-2-(diethylamino)acetamide
CID 4221409
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 135726770
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 131878401
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide?
The IUPAC name of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide (CID 5407176) is N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide is CC(=O)Nc1ccc(/C=N\NC(=O)CN2CCCCCCC2)cc1.
What is the InChIKey of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide?
The InChIKey is IMMXTSGHEBCRTA-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-15(23)20-17-9-7-16(8-10-17)13-19-21-18(24)14-22-11-5-3-2-4-6-12-22/h7-10,13H,2-6,11-12,14H2,1H3,(H,20,23)(H,21,24)/b19-13-.
What are the key properties of N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide?
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide is sourced from PubChem (CID 5407176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).