1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide

C20H30N2O3 — CID 111480635

IUPAC1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(C)(C)CC(C)O)CC2=O)cc1
InChIInChI=1S/C20H30N2O3/c1-5-15-6-8-17(9-7-15)22-12-16(10-18(22)24)19(25)21-13-20(3,4)11-14(2)23/h6-9,14,16,23H,5,10-13H2,1-4H3,(H,21,25)
InChIKeyWESKVQQMTMXAMU-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.52
Rot. Bonds7

About 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 111480635) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID111480635
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(C)(C)CC(C)O)CC2=O)cc1
InChIInChI=1S/C20H30N2O3/c1-5-15-6-8-17(9-7-15)22-12-16(10-18(22)24)19(25)21-13-20(3,4)11-14(2)23/h6-9,14,16,23H,5,10-13H2,1-4H3,(H,21,25)
InChIKeyWESKVQQMTMXAMU-UHFFFAOYSA-N
XLogP2.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
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
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
(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
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 9390100
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
1-(4-ethylphenyl)-5-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 46820263
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide (CID 111480635) is 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCC(C)(C)CC(C)O)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WESKVQQMTMXAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-15-6-8-17(9-7-15)22-12-16(10-18(22)24)19(25)21-13-20(3,4)11-14(2)23/h6-9,14,16,23H,5,10-13H2,1-4H3,(H,21,25).
What are the key properties of 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 111480635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).