ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate

C20H26N2O4 — CID 2988687

IUPACethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C20H26N2O4/c1-2-26-20(25)16-10-6-7-11-17(16)21-19(24)14-12-18(23)22(13-14)15-8-4-3-5-9-15/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,21,24)
InChIKeyIUEHFRBSHWMOBQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.98
Rot. Bonds5

About ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate

ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate (PubChem CID 2988687) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
PubChem CID2988687
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C20H26N2O4/c1-2-26-20(25)16-10-6-7-11-17(16)21-19(24)14-12-18(23)22(13-14)15-8-4-3-5-9-15/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,21,24)
InChIKeyIUEHFRBSHWMOBQ-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate (CID 2988687) is ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
The InChIKey is IUEHFRBSHWMOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-2-26-20(25)16-10-6-7-11-17(16)21-19(24)14-12-18(23)22(13-14)15-8-4-3-5-9-15/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,21,24).
What are the key properties of ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate?
ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate has a molecular weight of 358.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 2988687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).