1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide

C19H37N3O2 — CID 155613159

IUPAC1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide
SMILESCN(CCC(=O)N1CCCC1C(=O)NCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H37N3O2/c1-18(2,3)11-12-20-17(24)15-9-8-13-22(15)16(23)10-14-21(7)19(4,5)6/h15H,8-14H2,1-7H3,(H,20,24)
InChIKeyMPAZVPVOGZHDCD-UHFFFAOYSA-N
MW339.52 g/mol
LogP2.65
Rot. Bonds6

About 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide

1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide (PubChem CID 155613159) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide
PubChem CID155613159
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide
SMILESCN(CCC(=O)N1CCCC1C(=O)NCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H37N3O2/c1-18(2,3)11-12-20-17(24)15-9-8-13-22(15)16(23)10-14-21(7)19(4,5)6/h15H,8-14H2,1-7H3,(H,20,24)
InChIKeyMPAZVPVOGZHDCD-UHFFFAOYSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide (CID 155613159) is 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide is CN(CCC(=O)N1CCCC1C(=O)NCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is MPAZVPVOGZHDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-18(2,3)11-12-20-17(24)15-9-8-13-22(15)16(23)10-14-21(7)19(4,5)6/h15H,8-14H2,1-7H3,(H,20,24).
What are the key properties of 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide?
1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(methyl)amino]propanoyl]-N-(3,3-dimethylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 155613159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).