N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide

C17H24N2O3 — CID 15660873

IUPACN-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide
SMILESCN(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C17H24N2O3/c1-18(12-14-6-3-2-4-7-14)16(21)9-10-17(22)19-11-5-8-15(19)13-20/h2-4,6-7,15,20H,5,8-13H2,1H3/t15-/m0/s1
InChIKeyYGUCZTSJFTUACG-HNNXBMFYSA-N
MW304.39 g/mol
LogP1.41
Rot. Bonds6

About N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide

N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide (PubChem CID 15660873) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide
PubChem CID15660873
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide
SMILESCN(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C17H24N2O3/c1-18(12-14-6-3-2-4-7-14)16(21)9-10-17(22)19-11-5-8-15(19)13-20/h2-4,6-7,15,20H,5,8-13H2,1H3/t15-/m0/s1
InChIKeyYGUCZTSJFTUACG-HNNXBMFYSA-N
XLogP1.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide (CID 15660873) is N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide is CN(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1CO.
What is the InChIKey of N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
The InChIKey is YGUCZTSJFTUACG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18(12-14-6-3-2-4-7-14)16(21)9-10-17(22)19-11-5-8-15(19)13-20/h2-4,6-7,15,20H,5,8-13H2,1H3/t15-/m0/s1.
What are the key properties of N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide?
N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide has a molecular weight of 304.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 15660873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).