(2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide

C18H34N2O5 — CID 177357956

IUPAC(2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide
SMILESCOCCN1CCC[C@H]1C(=O)NCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C18H34N2O5/c1-15(2)17(21)6-10-24-13-14-25-11-7-19-18(22)16-5-4-8-20(16)9-12-23-3/h15-16H,4-14H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyIICHZDCFWAGLQL-INIZCTEOSA-N
MW358.48 g/mol
LogP0.86
Rot. Bonds14

About (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide

(2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide (PubChem CID 177357956) has the molecular formula C18H34N2O5 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide
PubChem CID177357956
Molecular FormulaC18H34N2O5
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Name(2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide
SMILESCOCCN1CCC[C@H]1C(=O)NCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C18H34N2O5/c1-15(2)17(21)6-10-24-13-14-25-11-7-19-18(22)16-5-4-8-20(16)9-12-23-3/h15-16H,4-14H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyIICHZDCFWAGLQL-INIZCTEOSA-N
XLogP0.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide (CID 177357956) is (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide is COCCN1CCC[C@H]1C(=O)NCCOCCOCCC(=O)C(C)C.
What is the InChIKey of (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is IICHZDCFWAGLQL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H34N2O5/c1-15(2)17(21)6-10-24-13-14-25-11-7-19-18(22)16-5-4-8-20(16)9-12-23-3/h15-16H,4-14H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 0.86, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyethyl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 177357956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).