(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

C18H24N2O3 — CID 94641042

IUPAC(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1=O
InChIInChI=1S/C18H24N2O3/c1-19-12-15(10-17(19)21)18(22)20(13-16-8-5-9-23-16)11-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t15-,16-/m1/s1
InChIKeyXQIIDEIWEMZBRR-HZPDHXFCSA-N
MW316.40 g/mol
LogP1.67
Rot. Bonds5

About (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide

(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 94641042) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID94641042
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1=O
InChIInChI=1S/C18H24N2O3/c1-19-12-15(10-17(19)21)18(22)20(13-16-8-5-9-23-16)11-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t15-,16-/m1/s1
InChIKeyXQIIDEIWEMZBRR-HZPDHXFCSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
ethyl 2-[benzyl-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179575
ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179574
N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 75390609
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 56583198
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 124507400
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
(1R,2S,4R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98790853

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide (CID 94641042) is (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is CN1C[C@H](C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1=O.
What is the InChIKey of (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is XQIIDEIWEMZBRR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-19-12-15(10-17(19)21)18(22)20(13-16-8-5-9-23-16)11-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide?
(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94641042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).