N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

C33H63N7O3 — CID 138724105

IUPACN-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCN(CCNC(=O)C2CC(C)(C)NC2(C)C)CCNC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C33H63N7O3/c1-28(2)19-22(31(7,8)37-28)25(41)34-13-16-40(17-14-35-26(42)23-20-29(3,4)38-32(23,9)10)18-15-36-27(43)24-21-30(5,6)39-33(24,11)12/h22-24,37-39H,13-21H2,1-12H3,(H,34,41)(H,35,42)(H,36,43)
InChIKeyBVDLTCAKIPVTQR-UHFFFAOYSA-N
MW605.91 g/mol
LogP2.14
Rot. Bonds12

About N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (PubChem CID 138724105) has the molecular formula C33H63N7O3 and a molecular weight of 605.91 g/mol. Its IUPAC name is N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
PubChem CID138724105
Molecular FormulaC33H63N7O3
Molecular Weight605.91 g/mol
Exact Mass605.50
IUPAC NameN-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCN(CCNC(=O)C2CC(C)(C)NC2(C)C)CCNC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C33H63N7O3/c1-28(2)19-22(31(7,8)37-28)25(41)34-13-16-40(17-14-35-26(42)23-20-29(3,4)38-32(23,9)10)18-15-36-27(43)24-21-30(5,6)39-33(24,11)12/h22-24,37-39H,13-21H2,1-12H3,(H,34,41)(H,35,42)(H,36,43)
InChIKeyBVDLTCAKIPVTQR-UHFFFAOYSA-N
XLogP2.14
TPSA126.63 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.91
LogP ≤ 52.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (CID 138724105) is N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is CC1(C)CC(C(=O)NCCN(CCNC(=O)C2CC(C)(C)NC2(C)C)CCNC(=O)C2CC(C)(C)NC2(C)C)C(C)(C)N1.
What is the InChIKey of N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The InChIKey is BVDLTCAKIPVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H63N7O3/c1-28(2)19-22(31(7,8)37-28)25(41)34-13-16-40(17-14-35-26(42)23-20-29(3,4)38-32(23,9)10)18-15-36-27(43)24-21-30(5,6)39-33(24,11)12/h22-24,37-39H,13-21H2,1-12H3,(H,34,41)(H,35,42)(H,36,43).
What are the key properties of N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide has a molecular weight of 605.91 g/mol, XLogP of 2.14, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)amino]ethyl]amino]ethyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 138724105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).