4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

C14H22N2O2 — CID 106147923

IUPAC4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,7-8-17)10-16-13(18)12-5-3-11(9-15)4-6-12/h3-6,17H,7-10,15H2,1-2H3,(H,16,18)
InChIKeyPZPHIOGEVJAIIN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.28
Rot. Bonds6

About 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (PubChem CID 106147923) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
PubChem CID106147923
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,7-8-17)10-16-13(18)12-5-3-11(9-15)4-6-12/h3-6,17H,7-10,15H2,1-2H3,(H,16,18)
InChIKeyPZPHIOGEVJAIIN-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methylsulfonylmethyl)benzamide
CID 103772293
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
CID 103825506
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
CID 103772319
2-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430415

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (CID 106147923) is 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is CC(C)(CCO)CNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The InChIKey is PZPHIOGEVJAIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,7-8-17)10-16-13(18)12-5-3-11(9-15)4-6-12/h3-6,17H,7-10,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 106147923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).