N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide

C21H30N2O2 — CID 166218779

IUPACN-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(Cc2ccccc2)C1C
InChIInChI=1S/C21H30N2O2/c1-15-19(13-17-7-4-3-5-8-17)11-12-23(15)21(25)20(22-16(2)24)14-18-9-6-10-18/h3-5,7-8,15,18-20H,6,9-14H2,1-2H3,(H,22,24)/t15?,19?,20-/m1/s1
InChIKeyDSBIOJWUGMZQIN-RGKRWLCDSA-N
MW342.48 g/mol
LogP3.16
Rot. Bonds6

About N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide

N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide (PubChem CID 166218779) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide
PubChem CID166218779
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(Cc2ccccc2)C1C
InChIInChI=1S/C21H30N2O2/c1-15-19(13-17-7-4-3-5-8-17)11-12-23(15)21(25)20(22-16(2)24)14-18-9-6-10-18/h3-5,7-8,15,18-20H,6,9-14H2,1-2H3,(H,22,24)/t15?,19?,20-/m1/s1
InChIKeyDSBIOJWUGMZQIN-RGKRWLCDSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

(2S)-2-amino-1-[(2R,3S)-3-benzyl-2-methylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 125134108
2-amino-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991565
[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide
CID 166300989
(2R)-2-acetamido-N-[(2R)-4-amino-3-oxo-1-phenylbutan-2-yl]-3-cyclohexylpropanamide
CID 101146924
(3-aminophenyl)-(3-benzyl-2-methylpyrrolidin-1-yl)methanone
CID 119806935
3-[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130836
3-[(2S,3R)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130835
3-[(2S,3S)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130834
(3R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-methylpropanoyl]pyrrolidin-2-one
CID 156788005
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide (CID 166218779) is N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC(Cc2ccccc2)C1C.
What is the InChIKey of N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide?
The InChIKey is DSBIOJWUGMZQIN-RGKRWLCDSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15-19(13-17-7-4-3-5-8-17)11-12-23(15)21(25)20(22-16(2)24)14-18-9-6-10-18/h3-5,7-8,15,18-20H,6,9-14H2,1-2H3,(H,22,24)/t15?,19?,20-/m1/s1.
What are the key properties of N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-benzyl-2-methylpyrrolidin-1-yl)-3-cyclobutyl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 166218779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).