4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide

C13H20N2O2 — CID 65107141

IUPAC4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,17)9-15-12(16)11-5-3-10(4-6-11)7-8-14/h3-6,17H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyOXXZBDYQXBMTGY-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.69
Rot. Bonds5

About 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide

4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 65107141) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID65107141
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,17)9-15-12(16)11-5-3-10(4-6-11)7-8-14/h3-6,17H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyOXXZBDYQXBMTGY-UHFFFAOYSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
CID 114174177
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide
CID 113482027
4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 114115971
4-(2-aminoethyl)-N-(2-ethoxypropyl)benzamide
CID 113477422
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide (CID 65107141) is 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is OXXZBDYQXBMTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,17)9-15-12(16)11-5-3-10(4-6-11)7-8-14/h3-6,17H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide?
4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 65107141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).