4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

C16H26N2O2 — CID 103825036

IUPAC4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCN(C)Cc1ccc(C(=O)NCC(C)(C)CCO)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,9-10-19)12-17-15(20)14-7-5-13(6-8-14)11-18(3)4/h5-8,19H,9-12H2,1-4H3,(H,17,20)
InChIKeyWGBMNWVGWUKFNA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.89
Rot. Bonds7

About 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (PubChem CID 103825036) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
PubChem CID103825036
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCN(C)Cc1ccc(C(=O)NCC(C)(C)CCO)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2,9-10-19)12-17-15(20)14-7-5-13(6-8-14)11-18(3)4/h5-8,19H,9-12H2,1-4H3,(H,17,20)
InChIKeyWGBMNWVGWUKFNA-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methylsulfonylmethyl)benzamide
CID 103772293
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
CID 103825506
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
CID 103772319
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103824963

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (CID 103825036) is 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is CN(C)Cc1ccc(C(=O)NCC(C)(C)CCO)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The InChIKey is WGBMNWVGWUKFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,9-10-19)12-17-15(20)14-7-5-13(6-8-14)11-18(3)4/h5-8,19H,9-12H2,1-4H3,(H,17,20).
What are the key properties of 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide has a molecular weight of 278.40 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 103825036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).