2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C19H30N2O2 — CID 146375083

IUPAC2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN1CCCC1CNC(=O)c1ccccc1CC(O)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-19(2,3)17(22)12-14-8-5-6-10-16(14)18(23)20-13-15-9-7-11-21(15)4/h5-6,8,10,15,17,22H,7,9,11-13H2,1-4H3,(H,20,23)
InChIKeyZADBGFNUZCPEDF-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.46
Rot. Bonds5

About 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 146375083) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID146375083
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCN1CCCC1CNC(=O)c1ccccc1CC(O)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-19(2,3)17(22)12-14-8-5-6-10-16(14)18(23)20-13-15-9-7-11-21(15)4/h5-6,8,10,15,17,22H,7,9,11-13H2,1-4H3,(H,20,23)
InChIKeyZADBGFNUZCPEDF-UHFFFAOYSA-N
XLogP2.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
2-methyl-1-[(2-methylphenyl)methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111360161
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
2-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103800126
3-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021732
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 94800617
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103733778

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 146375083) is 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is CN1CCCC1CNC(=O)c1ccccc1CC(O)C(C)(C)C.
What is the InChIKey of 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is ZADBGFNUZCPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)17(22)12-14-8-5-6-10-16(14)18(23)20-13-15-9-7-11-21(15)4/h5-6,8,10,15,17,22H,7,9,11-13H2,1-4H3,(H,20,23).
What are the key properties of 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 318.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 146375083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).