N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide

C17H29N3O2 — CID 118927574

IUPACN,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)[C@H]2CCCC[C@@H]2N2CCCC2)CC1=O
InChIInChI=1S/C17H29N3O2/c1-18-12-13(11-16(18)21)17(22)19(2)14-7-3-4-8-15(14)20-9-5-6-10-20/h13-15H,3-12H2,1-2H3/t13?,14-,15-/m0/s1
InChIKeyNNDQLSBNPSONGU-FGRDXJNISA-N
MW307.44 g/mol
LogP1.33
Rot. Bonds3

About N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide

N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 118927574) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide
PubChem CID118927574
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)[C@H]2CCCC[C@@H]2N2CCCC2)CC1=O
InChIInChI=1S/C17H29N3O2/c1-18-12-13(11-16(18)21)17(22)19(2)14-7-3-4-8-15(14)20-9-5-6-10-20/h13-15H,3-12H2,1-2H3/t13?,14-,15-/m0/s1
InChIKeyNNDQLSBNPSONGU-FGRDXJNISA-N
XLogP1.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide (CID 118927574) is N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide is CN1CC(C(=O)N(C)[C@H]2CCCC[C@@H]2N2CCCC2)CC1=O.
What is the InChIKey of N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is NNDQLSBNPSONGU-FGRDXJNISA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18-12-13(11-16(18)21)17(22)19(2)14-7-3-4-8-15(14)20-9-5-6-10-20/h13-15H,3-12H2,1-2H3/t13?,14-,15-/m0/s1.
What are the key properties of N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide?
N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-oxo-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118927574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).