(2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide

C21H38N2O3 — CID 134922712

IUPAC(2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)(CC)C(=O)N1CC[C@](C)(C(=O)NC(C)(C)C)[C@@H]1CCC=O
InChIInChI=1S/C21H38N2O3/c1-8-21(9-2,10-3)18(26)23-14-13-20(7,16(23)12-11-15-24)17(25)22-19(4,5)6/h15-16H,8-14H2,1-7H3,(H,22,25)/t16-,20-/m0/s1
InChIKeyIFAUKQYSIDOKNY-JXFKEZNVSA-N
MW366.55 g/mol
LogP3.70
Rot. Bonds8

About (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide

(2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide (PubChem CID 134922712) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide
PubChem CID134922712
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC Name(2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide
SMILESCCC(CC)(CC)C(=O)N1CC[C@](C)(C(=O)NC(C)(C)C)[C@@H]1CCC=O
InChIInChI=1S/C21H38N2O3/c1-8-21(9-2,10-3)18(26)23-14-13-20(7,16(23)12-11-15-24)17(25)22-19(4,5)6/h15-16H,8-14H2,1-7H3,(H,22,25)/t16-,20-/m0/s1
InChIKeyIFAUKQYSIDOKNY-JXFKEZNVSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)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

Related Compounds

3-[[2,2-Dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]amino]propyl-trimethylazanium
CID 22955602
5-ethyl-4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)heptanamide
CID 68244674
N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide
CID 89097089
2-Methyl-2-(1-oxo-2,54-diazaspiro[4.51]hexapentacontan-54-yl)propanal
CID 90033820
2-Methyl-2-(3-methyl-1-oxo-2,54-diazaspiro[4.51]hexapentacontan-54-yl)propanal
CID 90463508
4-ethyl-N,N,2,4-tetramethyl-2-[2-(2-oxopyrrolidin-1-yl)propyl]-N'-(2,4,4-trimethylpentan-2-yl)pentanediamide
CID 129255114
N-[3-(dimethylamino)propyl]-2-(2,2-dimethyl-3-oxopropyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)hexanamide;dodecyl-dimethyl-[3-(methylamino)propyl]azanium;chloride
CID 159275486
N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide
CID 159538670
4-amino-5-tert-butyl-2-(4-formyl-2,3,3,4-tetramethylhexan-2-yl)-3,3,4-trimethyl-N'-propan-2-ylhexanediamide
CID 170143996
3-amino-N-tert-butyl-N-(3,3-dimethylbutyl)-5-methyl-6-oxohexanamide
CID 171092778
(2R,3R)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide
CID 23249119
N-[5-(diethylamino)pentan-2-yl]-3-propylpyrrolidine-3-carboxamide
CID 63140971

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide (CID 134922712) is (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide is CCC(CC)(CC)C(=O)N1CC[C@](C)(C(=O)NC(C)(C)C)[C@@H]1CCC=O.
What is the InChIKey of (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide?
The InChIKey is IFAUKQYSIDOKNY-JXFKEZNVSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-8-21(9-2,10-3)18(26)23-14-13-20(7,16(23)12-11-15-24)17(25)22-19(4,5)6/h15-16H,8-14H2,1-7H3,(H,22,25)/t16-,20-/m0/s1.
What are the key properties of (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide?
(2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-tert-butyl-1-(2,2-diethylbutanoyl)-3-methyl-2-(3-oxopropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 134922712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).