N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C19H28N2O5 — CID 55570729

IUPACN-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCCC(C)C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C19H28N2O5/c1-12(2)6-7-20-19(23)13-8-17(22)21(11-13)14-9-15(24-3)18(26-5)16(10-14)25-4/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,23)
InChIKeyQEQWGPOOCPPRHW-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.23
Rot. Bonds8

About N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55570729) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55570729
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCCC(C)C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C19H28N2O5/c1-12(2)6-7-20-19(23)13-8-17(22)21(11-13)14-9-15(24-3)18(26-5)16(10-14)25-4/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,23)
InChIKeyQEQWGPOOCPPRHW-UHFFFAOYSA-N
XLogP2.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 51654904
(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 124679906
N-(furan-3-ylmethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55702367

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55570729) is N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NCCC(C)C)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QEQWGPOOCPPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-12(2)6-7-20-19(23)13-8-17(22)21(11-13)14-9-15(24-3)18(26-5)16(10-14)25-4/h9-10,12-13H,6-8,11H2,1-5H3,(H,20,23).
What are the key properties of N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55570729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).