(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H28N2O3 — CID 7325487

IUPAC(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C23H28N2O3/c1-2-3-15-28-21-11-9-20(10-12-21)25-17-19(16-22(25)26)23(27)24-14-13-18-7-5-4-6-8-18/h4-12,19H,2-3,13-17H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyFNBVWJIVMQYBSC-LJQANCHMSA-N
MW380.49 g/mol
LogP3.58
Rot. Bonds9

About (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 7325487) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID7325487
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C23H28N2O3/c1-2-3-15-28-21-11-9-20(10-12-21)25-17-19(16-22(25)26)23(27)24-14-13-18-7-5-4-6-8-18/h4-12,19H,2-3,13-17H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyFNBVWJIVMQYBSC-LJQANCHMSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185
(3R)-1-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 124581964
N-[2-(3-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18190011
(3R)-1-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 126131991
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2955877
1-(4-ethoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 18272429
(3S)-1-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 124630821
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
1-(4-ethoxyphenyl)-N-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18189998
1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 7325487) is (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is CCCCOc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FNBVWJIVMQYBSC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-3-15-28-21-11-9-20(10-12-21)25-17-19(16-22(25)26)23(27)24-14-13-18-7-5-4-6-8-18/h4-12,19H,2-3,13-17H2,1H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7325487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).