3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide

C21H33N3O2 — CID 126806827

IUPAC3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1
InChIInChI=1S/C21H33N3O2/c1-16(2)14-22-21(25)19-6-4-5-18(13-19)15-24-8-7-20(17(24)3)23-9-11-26-12-10-23/h4-6,13,16-17,20H,7-12,14-15H2,1-3H3,(H,22,25)/t17-,20-/m1/s1
InChIKeyODBXEWJSHWUUCK-YLJYHZDGSA-N
MW359.51 g/mol
LogP2.37
Rot. Bonds6

About 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide

3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 126806827) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID126806827
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1
InChIInChI=1S/C21H33N3O2/c1-16(2)14-22-21(25)19-6-4-5-18(13-19)15-24-8-7-20(17(24)3)23-9-11-26-12-10-23/h4-6,13,16-17,20H,7-12,14-15H2,1-3H3,(H,22,25)/t17-,20-/m1/s1
InChIKeyODBXEWJSHWUUCK-YLJYHZDGSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)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

N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 86883330
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
N-(2-methylpropyl)-3-[(2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)methyl]benzamide
CID 126791495
3-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 126815644
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
CID 56513208

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide (CID 126806827) is 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1.
What is the InChIKey of 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is ODBXEWJSHWUUCK-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16(2)14-22-21(25)19-6-4-5-18(13-19)15-24-8-7-20(17(24)3)23-9-11-26-12-10-23/h4-6,13,16-17,20H,7-12,14-15H2,1-3H3,(H,22,25)/t17-,20-/m1/s1.
What are the key properties of 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 359.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 126806827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).