3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide

C16H24N2O2 — CID 111123246

IUPAC3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2CC[C@H](O)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-17-16(20)14-5-3-4-13(8-14)10-18-7-6-15(19)11-18/h3-5,8,12,15,19H,6-7,9-11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyOMLBRUBWYUCOOP-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.64
Rot. Bonds5

About 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide

3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 111123246) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID111123246
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN2CC[C@H](O)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)9-17-16(20)14-5-3-4-13(8-14)10-18-7-6-15(19)11-18/h3-5,8,12,15,19H,6-7,9-11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyOMLBRUBWYUCOOP-HNNXBMFYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
N,3-bis(2-methylpropyl)benzamide
CID 176945198
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
3-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-N-(2-methylpropyl)benzamide
CID 136518363
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
3-[(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 86883330
3-[[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 126806827
3-[(3-hydroxypyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 62941703
N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
CID 82166284
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide (CID 111123246) is 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CN2CC[C@H](O)C2)c1.
What is the InChIKey of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is OMLBRUBWYUCOOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)9-17-16(20)14-5-3-4-13(8-14)10-18-7-6-15(19)11-18/h3-5,8,12,15,19H,6-7,9-11H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide?
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 111123246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).