(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide

C14H20N2O2 — CID 91756900

IUPAC(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(18-2)14(17)13-9-6-10-16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyMYZQJOMWAANMII-CYBMUJFWSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds4

About (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide

(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 91756900) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID91756900
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(18-2)14(17)13-9-6-10-16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyMYZQJOMWAANMII-CYBMUJFWSA-N
XLogP1.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide
CID 171950969
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide (CID 91756900) is (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide is CON(C)C(=O)[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MYZQJOMWAANMII-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(18-2)14(17)13-9-6-10-16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91756900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).