5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide

C18H23N3O — CID 91683062

IUPAC5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C18H23N3O/c1-12(2)14-7-5-6-8-16(14)20-18(22)15-11-13(19)9-10-17(15)21(3)4/h5-12H,19H2,1-4H3,(H,20,22)
InChIKeyZTCDOQKBECHFID-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds4

About 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide

5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 91683062) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID91683062
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C18H23N3O/c1-12(2)14-7-5-6-8-16(14)20-18(22)15-11-13(19)9-10-17(15)21(3)4/h5-12H,19H2,1-4H3,(H,20,22)
InChIKeyZTCDOQKBECHFID-UHFFFAOYSA-N
XLogP3.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)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

5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
CID 91683152
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
5-amino-2-methyl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61039486
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
CID 82744970
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
CID 61092146
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594537

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide (CID 91683062) is 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is ZTCDOQKBECHFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)14-7-5-6-8-16(14)20-18(22)15-11-13(19)9-10-17(15)21(3)4/h5-12H,19H2,1-4H3,(H,20,22).
What are the key properties of 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide?
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 91683062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).