N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C22H19N3O2 — CID 124546527

IUPACN-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1
InChIInChI=1S/C22H19N3O2/c1-14-9-11-16(12-10-14)15(2)23-24-20(26)13-25-19-8-4-6-17-5-3-7-18(21(17)19)22(25)27/h3-12H,13H2,1-2H3,(H,24,26)/b23-15-
InChIKeyKKCMAVFYGLEJAT-HAHDFKILSA-N
MW357.41 g/mol
LogP3.65
Rot. Bonds4

About N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 124546527) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID124546527
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1
InChIInChI=1S/C22H19N3O2/c1-14-9-11-16(12-10-14)15(2)23-24-20(26)13-25-19-8-4-6-17-5-3-7-18(21(17)19)22(25)27/h3-12H,13H2,1-2H3,(H,24,26)/b23-15-
InChIKeyKKCMAVFYGLEJAT-HAHDFKILSA-N
XLogP3.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.65
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-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-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-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546529
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546534
N-[1-(4-methylphenyl)ethylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 4021962
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
ethyl 4-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1083001
N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 44722878
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
2-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 124546527) is N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is C/C(=N/NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is KKCMAVFYGLEJAT-HAHDFKILSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-9-11-16(12-10-14)15(2)23-24-20(26)13-25-19-8-4-6-17-5-3-7-18(21(17)19)22(25)27/h3-12H,13H2,1-2H3,(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 124546527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).