N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide

C20H26N2O3 — CID 110026257

IUPACN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide
SMILESCN(CC(C)(CO)CO)C(=O)c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-20(14-23,15-24)13-21(2)19(25)17-11-7-8-12-18(17)22(3)16-9-5-4-6-10-16/h4-12,23-24H,13-15H2,1-3H3
InChIKeyDVQOAYOJVJKFES-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.52
Rot. Bonds7

About N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide

N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide (PubChem CID 110026257) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide
PubChem CID110026257
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide
SMILESCN(CC(C)(CO)CO)C(=O)c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-20(14-23,15-24)13-21(2)19(25)17-11-7-8-12-18(17)22(3)16-9-5-4-6-10-16/h4-12,23-24H,13-15H2,1-3H3
InChIKeyDVQOAYOJVJKFES-UHFFFAOYSA-N
XLogP2.52
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-(N-methylanilino)benzamide
CID 110893882
2-anilino-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylbenzamide
CID 110026311
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
N-methyl-2-(N-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55736891
2-bromo-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,5-dimethylbenzamide
CID 100681249
N-methoxy-2-(N-methylanilino)benzamide
CID 47216174
N-[2-(methylamino)propyl]-2-(N-methylanilino)benzamide
CID 120832793
3-[(2-chlorobenzoyl)-methylamino]-2,2-dimethylpropanoic acid
CID 166311566
3-tert-butyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,1-dimethylpyrazole-4-carboxamide
CID 75484222
N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-(N-methylanilino)benzamide
CID 55880097
2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate
CID 86937858
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide
CID 57046615

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide (CID 110026257) is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide is CN(CC(C)(CO)CO)C(=O)c1ccccc1N(C)c1ccccc1.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide?
The InChIKey is DVQOAYOJVJKFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(14-23,15-24)13-21(2)19(25)17-11-7-8-12-18(17)22(3)16-9-5-4-6-10-16/h4-12,23-24H,13-15H2,1-3H3.
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide?
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-2-(N-methylanilino)benzamide is sourced from PubChem (CID 110026257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).