1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide

C21H39N3O3 — CID 23503535

IUPAC1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide
SMILESCNCCOCCN(C)C(=O)C1CCCN1C(=O)CCCC1CCCCC1
InChIInChI=1S/C21H39N3O3/c1-22-13-16-27-17-15-23(2)21(26)19-11-7-14-24(19)20(25)12-6-10-18-8-4-3-5-9-18/h18-19,22H,3-17H2,1-2H3
InChIKeyZFGJPDVEQVGNEN-UHFFFAOYSA-N
MW381.56 g/mol
LogP2.42
Rot. Bonds11

About 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide

1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide (PubChem CID 23503535) has the molecular formula C21H39N3O3 and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide
PubChem CID23503535
Molecular FormulaC21H39N3O3
Molecular Weight381.56 g/mol
Exact Mass381.30
IUPAC Name1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide
SMILESCNCCOCCN(C)C(=O)C1CCCN1C(=O)CCCC1CCCCC1
InChIInChI=1S/C21H39N3O3/c1-22-13-16-27-17-15-23(2)21(26)19-11-7-14-24(19)20(25)12-6-10-18-8-4-3-5-9-18/h18-19,22H,3-17H2,1-2H3
InChIKeyZFGJPDVEQVGNEN-UHFFFAOYSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide (CID 23503535) is 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide is CNCCOCCN(C)C(=O)C1CCCN1C(=O)CCCC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ZFGJPDVEQVGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O3/c1-22-13-16-27-17-15-23(2)21(26)19-11-7-14-24(19)20(25)12-6-10-18-8-4-3-5-9-18/h18-19,22H,3-17H2,1-2H3.
What are the key properties of 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide?
1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 381.56 g/mol, XLogP of 2.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23503535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).