2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide

C15H30N4O2 — CID 131993319

IUPAC2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CCC1CCC(C)N1C(=O)NC(=O)C(C)NC
InChIInChI=1S/C15H30N4O2/c1-6-18(5)10-9-13-8-7-11(2)19(13)15(21)17-14(20)12(3)16-4/h11-13,16H,6-10H2,1-5H3,(H,17,20,21)
InChIKeyUNQLCSBZYCAUEX-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide

2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide (PubChem CID 131993319) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide
PubChem CID131993319
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CCC1CCC(C)N1C(=O)NC(=O)C(C)NC
InChIInChI=1S/C15H30N4O2/c1-6-18(5)10-9-13-8-7-11(2)19(13)15(21)17-14(20)12(3)16-4/h11-13,16H,6-10H2,1-5H3,(H,17,20,21)
InChIKeyUNQLCSBZYCAUEX-UHFFFAOYSA-N
XLogP1.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide (CID 131993319) is 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide is CCN(C)CCC1CCC(C)N1C(=O)NC(=O)C(C)NC.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide?
The InChIKey is UNQLCSBZYCAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-6-18(5)10-9-13-8-7-11(2)19(13)15(21)17-14(20)12(3)16-4/h11-13,16H,6-10H2,1-5H3,(H,17,20,21).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide?
2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethyl]-5-methyl-N-[2-(methylamino)propanoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 131993319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).