(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C18H26N2O2 — CID 691497

IUPAC(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)cc1
InChIInChI=1S/C18H26N2O2/c1-4-14-5-7-16(8-6-14)20-12-15(11-17(20)21)18(22)19-10-9-13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyGLKGFTOWPTVOOH-OAHLLOKOSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds6

About (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 691497) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID691497
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)cc1
InChIInChI=1S/C18H26N2O2/c1-4-14-5-7-16(8-6-14)20-12-15(11-17(20)21)18(22)19-10-9-13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyGLKGFTOWPTVOOH-OAHLLOKOSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3373774
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
1-[4-(diethylamino)phenyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113189756
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9390100
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
1-(4-ethylphenyl)-5-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 46820263
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 111480635

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 691497) is (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)NCCC(C)C)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GLKGFTOWPTVOOH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-14-5-7-16(8-6-14)20-12-15(11-17(20)21)18(22)19-10-9-13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 691497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).