1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C17H24N2O2 — CID 46109453

IUPAC1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)11-19-12-15(10-16(19)20)17(21)18-9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)
InChIKeyKHYIKRFOGQSHJF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 46109453) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID46109453
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)11-19-12-15(10-16(19)20)17(21)18-9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)
InChIKeyKHYIKRFOGQSHJF-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
(3R)-1-(2-methylpropyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 51940146
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 166178785
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43352899
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125427

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 46109453) is 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCCc2ccccc2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is KHYIKRFOGQSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)11-19-12-15(10-16(19)20)17(21)18-9-8-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46109453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).