N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide

C18H21N3O — CID 142973995

IUPACN-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide
SMILES[H]/N=C/c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C18H21N3O/c1-18(2,3)14-6-4-12(5-7-14)17(22)21-15-8-9-16(20)13(10-15)11-19/h4-11,19H,20H2,1-3H3,(H,21,22)/b19-11+
InChIKeyOOAOYHPHKOSGOM-YBFXNURJSA-N
MW295.39 g/mol
LogP3.82
Rot. Bonds3

About N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide

N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide (PubChem CID 142973995) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide
PubChem CID142973995
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide
SMILES[H]/N=C/c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N
InChIInChI=1S/C18H21N3O/c1-18(2,3)14-6-4-12(5-7-14)17(22)21-15-8-9-16(20)13(10-15)11-19/h4-11,19H,20H2,1-3H3,(H,21,22)/b19-11+
InChIKeyOOAOYHPHKOSGOM-YBFXNURJSA-N
XLogP3.82
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide 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

4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
CID 129089974
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
phenyl N-(4-amino-3-methanimidoylphenyl)carbamate
CID 167447123
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
(3Z)-1-(4-amino-3-methanimidoylphenyl)-3-[amino-[6-(methylamino)-2-pyridinyl]methylidene]urea
CID 167446892
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide (CID 142973995) is N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide is [H]/N=C/c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N.
What is the InChIKey of N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide?
The InChIKey is OOAOYHPHKOSGOM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(2,3)14-6-4-12(5-7-14)17(22)21-15-8-9-16(20)13(10-15)11-19/h4-11,19H,20H2,1-3H3,(H,21,22)/b19-11+.
What are the key properties of N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide?
N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide has a molecular weight of 295.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 142973995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).