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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Related Compounds

1-[4-[tert-butyl(methyl)amino]butanoyl]-N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide
CID 155613131
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
tert-butyl (2S)-2-[[6-(diethylamino)-6-oxohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 132529318
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
2,2,2-trifluoroethyl (2S)-2-(2,2-dimethylpropylcarbamoyl)pyrrolidine-1-carboxylate
CID 95243271

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).