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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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).