5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide

C20H26N2O — CID 120622117

IUPAC5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H26N2O/c1-12(2)15-7-9-19(17(10-15)13(3)4)22-20(23)18-11-16(21)8-6-14(18)5/h6-13H,21H2,1-5H3,(H,22,23)
InChIKeyBHPDLXHLBUTKLX-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.08
Rot. Bonds4

About 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide

5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide (PubChem CID 120622117) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide
PubChem CID120622117
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H26N2O/c1-12(2)15-7-9-19(17(10-15)13(3)4)22-20(23)18-11-16(21)8-6-14(18)5/h6-13H,21H2,1-5H3,(H,22,23)
InChIKeyBHPDLXHLBUTKLX-UHFFFAOYSA-N
XLogP5.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide 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-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide
CID 119132580
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
2-hydroxy-N-(2-methyl-5-propan-2-ylphenyl)benzamide
CID 172640282
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
CID 804702
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 91683062
2-(5-amino-2-pyridinyl)-N-[2,4-di(propan-2-yl)phenyl]acetamide;hydrochloride
CID 120622112
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide (CID 120622117) is 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide?
The InChIKey is BHPDLXHLBUTKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-12(2)15-7-9-19(17(10-15)13(3)4)22-20(23)18-11-16(21)8-6-14(18)5/h6-13H,21H2,1-5H3,(H,22,23).
What are the key properties of 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide?
5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide has a molecular weight of 310.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 120622117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).