4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide

C19H23N3O — CID 3435127

IUPAC4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(N)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-13(14-5-9-16(10-6-14)19(2,3)4)21-22-18(23)15-7-11-17(20)12-8-15/h5-12H,20H2,1-4H3,(H,22,23)
InChIKeyDHWNSLQDOXIIHP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.72
Rot. Bonds3

About 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide

4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide (PubChem CID 3435127) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
PubChem CID3435127
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(N)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-13(14-5-9-16(10-6-14)19(2,3)4)21-22-18(23)15-7-11-17(20)12-8-15/h5-12H,20H2,1-4H3,(H,22,23)
InChIKeyDHWNSLQDOXIIHP-UHFFFAOYSA-N
XLogP3.72
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide 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

1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
4-amino-N-[(E)-3,3-dimethylbutan-2-ylideneamino]benzamide
CID 6920720
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
4-tert-butyl-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4061369
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[1-(4-aminophenyl)ethylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4215253
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide (CID 3435127) is 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(N)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide?
The InChIKey is DHWNSLQDOXIIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(14-5-9-16(10-6-14)19(2,3)4)21-22-18(23)15-7-11-17(20)12-8-15/h5-12H,20H2,1-4H3,(H,22,23).
What are the key properties of 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide?
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3435127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).