N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

C20H38N4O4 — CID 54113282

IUPACN-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)N(CCN)C(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O
InChIInChI=1S/C20H38N4O4/c1-17(2)11-13(19(5,6)23(17)27)15(25)22(10-9-21)16(26)14-12-18(3,4)24(28)20(14,7)8/h13-14,27-28H,9-12,21H2,1-8H3
InChIKeyXJSVKLRFXCMIFY-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.84
Rot. Bonds4

About N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (PubChem CID 54113282) has the molecular formula C20H38N4O4 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
PubChem CID54113282
Molecular FormulaC20H38N4O4
Molecular Weight398.55 g/mol
Exact Mass398.29
IUPAC NameN-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)N(CCN)C(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O
InChIInChI=1S/C20H38N4O4/c1-17(2)11-13(19(5,6)23(17)27)15(25)22(10-9-21)16(26)14-12-18(3,4)24(28)20(14,7)8/h13-14,27-28H,9-12,21H2,1-8H3
InChIKeyXJSVKLRFXCMIFY-UHFFFAOYSA-N
XLogP1.84
TPSA110.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-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

N,2,2,5,5-pentamethyl-N-[6-(methylamino)hexyl]-1-oxidopyrrolidine-3-carboxamide
CID 101644249
1-hydroxy-N-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 19704258
2,2,5,5-tetramethyl-N-[2-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethylamino]ethyl]pyrrolidine-3-carboxamide
CID 67732288
N-ethyl-1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 70881584
1-hydroxy-2,2,5,5-tetramethyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 126615118
N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 138724105
1,2,2,5,5-pentamethyl-N-[2-[2-[(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)amino]ethyl-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 138724107
N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 138724108
1,2,2,5,5-pentamethyl-N-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]butyl]pyrrolidine-3-carboxamide
CID 138724230
1,2,2,5,5-pentamethyl-N-[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 138724232
1,2,2,5,5-pentamethyl-N-[6-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]hexyl]pyrrolidine-3-carboxamide
CID 138724233
1,2,2,5,5-pentamethyl-N-[8-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]octyl]pyrrolidine-3-carboxamide
CID 138724234

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (CID 54113282) is N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is CC1(C)CC(C(=O)N(CCN)C(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O.
What is the InChIKey of N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The InChIKey is XJSVKLRFXCMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O4/c1-17(2)11-13(19(5,6)23(17)27)15(25)22(10-9-21)16(26)14-12-18(3,4)24(28)20(14,7)8/h13-14,27-28H,9-12,21H2,1-8H3.
What are the key properties of N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 54113282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).