1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide

C14H19N3O2 — CID 47085421

IUPAC1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-15-13(18)12-8-5-9-17(12)14(19)16-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyOGSFOFCESCCBJC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.11
Rot. Bonds3

About 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide

1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 47085421) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID47085421
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)C1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-15-13(18)12-8-5-9-17(12)14(19)16-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyOGSFOFCESCCBJC-UHFFFAOYSA-N
XLogP1.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
1-[1-(benzylcarbamoyl)pyrrolidine-2-carbonyl]-N-dodecylpyrrolidine-2-carboxamide
CID 67810807
(2R)-1-N-(2,2-diphenylethyl)-2-N-methylpiperidine-1,2-dicarboxamide
CID 126433792
N-benzyl-2-carbamimidoylpyrrolidine-1-carboxamide
CID 107654638
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 47085421) is 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide is CNC(=O)C1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is OGSFOFCESCCBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-13(18)12-8-5-9-17(12)14(19)16-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide?
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 47085421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).