N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide

C22H30N2O3 — CID 119048184

IUPACN-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)NCC(C)(CO)Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-22(17-25,15-18-9-5-4-6-10-18)16-23-21(26)19-11-7-8-12-20(19)27-14-13-24(2)3/h4-12,25H,13-17H2,1-3H3,(H,23,26)
InChIKeyFTWAIDPZNUODAU-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.60
Rot. Bonds10

About N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide

N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 119048184) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide
PubChem CID119048184
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)NCC(C)(CO)Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-22(17-25,15-18-9-5-4-6-10-18)16-23-21(26)19-11-7-8-12-20(19)27-14-13-24(2)3/h4-12,25H,13-17H2,1-3H3,(H,23,26)
InChIKeyFTWAIDPZNUODAU-UHFFFAOYSA-N
XLogP2.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 124734628
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
CID 119431025
2-[2-(dimethylamino)ethoxy]-N-[2-(ethylamino)ethyl]benzamide;dihydrochloride
CID 119506204
2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
CID 86991961
N-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-methylfuran-2-carboxamide
CID 99795330
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
CID 63578013
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide (CID 119048184) is N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1ccccc1C(=O)NCC(C)(CO)Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is FTWAIDPZNUODAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-22(17-25,15-18-9-5-4-6-10-18)16-23-21(26)19-11-7-8-12-20(19)27-14-13-24(2)3/h4-12,25H,13-17H2,1-3H3,(H,23,26).
What are the key properties of N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide?
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 370.49 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 119048184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).