[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C24H29NO3 — CID 9056947

IUPAC[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O
InChIInChI=1S/C24H29NO3/c1-5-17-9-7-8-10-21(17)25-16-18(15-22(25)26)23(27)28-20-13-11-19(12-14-20)24(3,4)6-2/h7-14,18H,5-6,15-16H2,1-4H3/t18-/m1/s1
InChIKeyFDLOOYTUASCYJX-GOSISDBHSA-N
MW379.50 g/mol
LogP4.90
Rot. Bonds6

About [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9056947) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9056947
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O
InChIInChI=1S/C24H29NO3/c1-5-17-9-7-8-10-21(17)25-16-18(15-22(25)26)23(27)28-20-13-11-19(12-14-20)24(3,4)6-2/h7-14,18H,5-6,15-16H2,1-4H3/t18-/m1/s1
InChIKeyFDLOOYTUASCYJX-GOSISDBHSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylbutan-2-yl)phenyl] (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057654
(4-tert-butylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057631
(4-ethylphenyl) (3R)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057637
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057474
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
N-[3-(aminomethyl)pentan-3-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119570475
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
[2-(methylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798822
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
(4-bromophenyl) (3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057570
(4-tert-butylphenyl) 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 5138489

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 9056947) is [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O.
What is the InChIKey of [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FDLOOYTUASCYJX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29NO3/c1-5-17-9-7-8-10-21(17)25-16-18(15-22(25)26)23(27)28-20-13-11-19(12-14-20)24(3,4)6-2/h7-14,18H,5-6,15-16H2,1-4H3/t18-/m1/s1.
What are the key properties of [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)phenyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9056947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).