2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide

C13H20N2O2 — CID 113475389

IUPAC2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)C(C)(C)CO)c1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-11(14)10(7-9)12(17)15(4)13(2,3)8-16/h5-7,16H,8,14H2,1-4H3
InChIKeyWAIFFBCCUMJLIW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds3

About 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide

2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide (PubChem CID 113475389) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
PubChem CID113475389
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)C(C)(C)CO)c1
InChIInChI=1S/C13H20N2O2/c1-9-5-6-11(14)10(7-9)12(17)15(4)13(2,3)8-16/h5-7,16H,8,14H2,1-4H3
InChIKeyWAIFFBCCUMJLIW-UHFFFAOYSA-N
XLogP1.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 63962505
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
CID 105071219
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
2-amino-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510545
3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
CID 113475336
2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107988364
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
CID 107477906
2-amino-N,N-bis(cyanomethyl)-5-methylbenzamide
CID 62508953
N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide
CID 113476040

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide?
The IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide (CID 113475389) is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide is Cc1ccc(N)c(C(=O)N(C)C(C)(C)CO)c1.
What is the InChIKey of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide?
The InChIKey is WAIFFBCCUMJLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-6-11(14)10(7-9)12(17)15(4)13(2,3)8-16/h5-7,16H,8,14H2,1-4H3.
What are the key properties of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide?
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide is sourced from PubChem (CID 113475389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).