N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide

C20H30N2O2 — CID 72891812

IUPACN-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide
SMILESC[C@@H]1CN(CCC(=O)N(C)Cc2ccccc2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C20H30N2O2/c1-16-13-22(15-20(16,24)18-9-6-10-18)12-11-19(23)21(2)14-17-7-4-3-5-8-17/h3-5,7-8,16,18,24H,6,9-15H2,1-2H3/t16-,20+/m1/s1
InChIKeyZRBCQRVJMMTZCR-UZLBHIALSA-N
MW330.47 g/mol
LogP2.52
Rot. Bonds6

About N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide

N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 72891812) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide
PubChem CID72891812
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide
SMILESC[C@@H]1CN(CCC(=O)N(C)Cc2ccccc2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C20H30N2O2/c1-16-13-22(15-20(16,24)18-9-6-10-18)12-11-19(23)21(2)14-17-7-4-3-5-8-17/h3-5,7-8,16,18,24H,6,9-15H2,1-2H3/t16-,20+/m1/s1
InChIKeyZRBCQRVJMMTZCR-UZLBHIALSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R*,4R*)-1-[N-(2-fluorobenzyl)-N-methylglycyl]-3,4-dimethyl-3-pyrrolidinol
CID 72845351
N-benzyl-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methyl-1-piperidinyl]-N-methylpropanamide
CID 72933269
(3R*,4R*)-1-(N-benzyl-N-methylglycyl)-3,4-dimethyl-3-pyrrolidinol
CID 72933139
(3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 164629367
1-benzyl-N,N-diethyl-4-methyl-2-oxopyrrolidine-3-carboxamide
CID 178325598
3-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-N-(4-fluorobenzyl)propanamide
CID 72839996
(3R*,4R*)-3-cyclobutyl-N-(3-fluorobenzyl)-3-hydroxy-4-methyl-1-pyrrolidinecarboxamide
CID 72841478
(3R*,4R*)-3-cyclobutyl-N-(4-fluorobenzyl)-3-hydroxy-4-methyl-1-pyrrolidinecarboxamide
CID 72857112
N-(4-fluorobenzyl)-3-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]propanamide
CID 72873784
(3R*,4R*)-3-cyclobutyl-1-[3-(3-fluorophenyl)propanoyl]-4-methyl-3-pyrrolidinol
CID 72880087
(3R*,4R*)-3-cyclobutyl-1-[(2,6-difluorophenyl)acetyl]-4-methyl-3-pyrrolidinol
CID 72895739
[(3S)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 124954055

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide (CID 72891812) is N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide is C[C@@H]1CN(CCC(=O)N(C)Cc2ccccc2)C[C@@]1(O)C1CCC1.
What is the InChIKey of N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is ZRBCQRVJMMTZCR-UZLBHIALSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-13-22(15-20(16,24)18-9-6-10-18)12-11-19(23)21(2)14-17-7-4-3-5-8-17/h3-5,7-8,16,18,24H,6,9-15H2,1-2H3/t16-,20+/m1/s1.
What are the key properties of N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide?
N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 330.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 72891812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).