1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C13H25N3O2 — CID 18885871

IUPAC1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)16-9-10(8-11(16)17)12(18)14-6-7-15(4)5/h10H,6-9H2,1-5H3,(H,14,18)
InChIKeyJOIQBAFHBFHQSQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.31
Rot. Bonds4

About 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 18885871) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID18885871
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCNC(=O)C1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)16-9-10(8-11(16)17)12(18)14-6-7-15(4)5/h10H,6-9H2,1-5H3,(H,14,18)
InChIKeyJOIQBAFHBFHQSQ-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-tert-butyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97118651
1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 131913294
1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 128645425
butyl N-[2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]ethyl]carbamate
CID 108572325
1-tert-butyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70732801
(3S)-1-tert-butyl-5-oxo-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 97110470
1-tert-butyl-5-oxo-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 108572335
1-tert-butyl-N-[2-(2,3-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70736946
1-tert-butyl-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108538210
1-tert-butyl-N-[3-(4-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741168
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 131914241

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 18885871) is 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCNC(=O)C1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JOIQBAFHBFHQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)16-9-10(8-11(16)17)12(18)14-6-7-15(4)5/h10H,6-9H2,1-5H3,(H,14,18).
What are the key properties of 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18885871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).