ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate

C23H33NO3 — CID 21469659

IUPACethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(C2CCCCC2)N1C(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C23H33NO3/c1-4-27-23(26)21-13-12-20(18-8-6-5-7-9-18)24(21)22(25)15-19-11-10-16(2)14-17(19)3/h10-11,14,18,20-21H,4-9,12-13,15H2,1-3H3
InChIKeyPYYBVELTRVBFET-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.35
Rot. Bonds5

About ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate

ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 21469659) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate
PubChem CID21469659
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Nameethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(C2CCCCC2)N1C(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C23H33NO3/c1-4-27-23(26)21-13-12-20(18-8-6-5-7-9-18)24(21)22(25)15-19-11-10-16(2)14-17(19)3/h10-11,14,18,20-21H,4-9,12-13,15H2,1-3H3
InChIKeyPYYBVELTRVBFET-UHFFFAOYSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate (CID 21469659) is ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCC(C2CCCCC2)N1C(=O)Cc1ccc(C)cc1C.
What is the InChIKey of ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is PYYBVELTRVBFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-4-27-23(26)21-13-12-20(18-8-6-5-7-9-18)24(21)22(25)15-19-11-10-16(2)14-17(19)3/h10-11,14,18,20-21H,4-9,12-13,15H2,1-3H3.
What are the key properties of ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate?
ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 371.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclohexyl-1-[2-(2,4-dimethylphenyl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 21469659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).