(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C17H24N2O3 — CID 9365076

IUPAC(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-13(12-22-3)19-11-15(9-16(19)20)17(21)18(2)10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyDAZBRLUKNPTXJJ-UKRRQHHQSA-N
MW304.39 g/mol
LogP1.53
Rot. Bonds6

About (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9365076) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9365076
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)N(C)Cc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O3/c1-13(12-22-3)19-11-15(9-16(19)20)17(21)18(2)10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15-/m1/s1
InChIKeyDAZBRLUKNPTXJJ-UKRRQHHQSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9364973
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8549524
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 9365166
(3R)-N,N-dibutyl-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365192
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41078928
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 9365076) is (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@H](C(=O)N(C)Cc2ccccc2)CC1=O.
What is the InChIKey of (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DAZBRLUKNPTXJJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(12-22-3)19-11-15(9-16(19)20)17(21)18(2)10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9365076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).