2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide

C17H29N3O2 — CID 75419534

IUPAC2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCC1C1CCC1)C1CCCC1
InChIInChI=1S/C17H29N3O2/c21-16(14-5-1-2-6-14)18-10-11-19-17(22)20-12-4-9-15(20)13-7-3-8-13/h13-15H,1-12H2,(H,18,21)(H,19,22)
InChIKeyUIBOCDHIIOHVOA-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.27
Rot. Bonds5

About 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide

2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide (PubChem CID 75419534) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
PubChem CID75419534
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCC1C1CCC1)C1CCCC1
InChIInChI=1S/C17H29N3O2/c21-16(14-5-1-2-6-14)18-10-11-19-17(22)20-12-4-9-15(20)13-7-3-8-13/h13-15H,1-12H2,(H,18,21)(H,19,22)
InChIKeyUIBOCDHIIOHVOA-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide (CID 75419534) is 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide is O=C(NCCNC(=O)N1CCCC1C1CCC1)C1CCCC1.
What is the InChIKey of 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is UIBOCDHIIOHVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(14-5-1-2-6-14)18-10-11-19-17(22)20-12-4-9-15(20)13-7-3-8-13/h13-15H,1-12H2,(H,18,21)(H,19,22).
What are the key properties of 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75419534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).