(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide

C17H25N3O2 — CID 1468506

IUPAC(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13(2)11-18-16(21)15-9-6-10-20(15)17(22)19-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyDZXAMUNSDUDAGW-HNNXBMFYSA-N
MW303.41 g/mol
LogP2.13
Rot. Bonds5

About (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468506) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468506
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13(2)11-18-16(21)15-9-6-10-20(15)17(22)19-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyDZXAMUNSDUDAGW-HNNXBMFYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
(2S)-1-N-[(3-bromophenyl)methyl]-2-N-[2-(methylamino)propyl]pyrrolidine-1,2-dicarboxamide
CID 120831757
(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
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide (CID 1468506) is (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide is CC(C)CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is DZXAMUNSDUDAGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)11-18-16(21)15-9-6-10-20(15)17(22)19-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).