5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide

C14H22N2O2 — CID 102705736

IUPAC5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)CC(C)(C)O)cc1N
InChIInChI=1S/C14H22N2O2/c1-9-6-10(2)12(15)7-11(9)13(17)16(5)8-14(3,4)18/h6-7,18H,8,15H2,1-5H3
InChIKeyVEPYMCHPDYHRSF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide

5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide (PubChem CID 102705736) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
PubChem CID102705736
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)N(C)CC(C)(C)O)cc1N
InChIInChI=1S/C14H22N2O2/c1-9-6-10(2)12(15)7-11(9)13(17)16(5)8-14(3,4)18/h6-7,18H,8,15H2,1-5H3
InChIKeyVEPYMCHPDYHRSF-UHFFFAOYSA-N
XLogP1.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.73
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

3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 113367038
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
5-amino-N-(2-cyanopropyl)-N,2,4-trimethylbenzamide
CID 102705252
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
methyl 4-[(5-amino-2,4-dimethylbenzoyl)-methylamino]butanoate
CID 102705214
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
2-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 79385433
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
CID 102705085
N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62046315
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide?
The IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide (CID 102705736) is 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide is Cc1cc(C)c(C(=O)N(C)CC(C)(C)O)cc1N.
What is the InChIKey of 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide?
The InChIKey is VEPYMCHPDYHRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-10(2)12(15)7-11(9)13(17)16(5)8-14(3,4)18/h6-7,18H,8,15H2,1-5H3.
What are the key properties of 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide?
5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide is sourced from PubChem (CID 102705736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).