5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide

C19H23N3O2 — CID 120620337

IUPAC5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C19H23N3O2/c1-12-9-10-13(20)11-15(12)17(23)21-16-8-6-5-7-14(16)18(24)22-19(2,3)4/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyOZYOZVLGKRPFMG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.36
Rot. Bonds3

About 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide

5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide (PubChem CID 120620337) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
PubChem CID120620337
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C19H23N3O2/c1-12-9-10-13(20)11-15(12)17(23)21-16-8-6-5-7-14(16)18(24)22-19(2,3)4/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyOZYOZVLGKRPFMG-UHFFFAOYSA-N
XLogP3.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
CID 100710384
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
5-amino-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-2-methylbenzamide
CID 120635238
N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715391
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
CID 2991099

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide (CID 120620337) is 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide?
The InChIKey is OZYOZVLGKRPFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-9-10-13(20)11-15(12)17(23)21-16-8-6-5-7-14(16)18(24)22-19(2,3)4/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide?
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 120620337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).