3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide

C17H26N2O2 — CID 63141358

IUPAC3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCOCc2ccccc2)CCNC1
InChIInChI=1S/C17H26N2O2/c1-2-17(9-11-18-14-17)16(20)19-10-6-12-21-13-15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3,(H,19,20)
InChIKeyFDOKYEUUUWURTK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.10
Rot. Bonds8

About 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide

3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide (PubChem CID 63141358) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
PubChem CID63141358
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCOCc2ccccc2)CCNC1
InChIInChI=1S/C17H26N2O2/c1-2-17(9-11-18-14-17)16(20)19-10-6-12-21-13-15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3,(H,19,20)
InChIKeyFDOKYEUUUWURTK-UHFFFAOYSA-N
XLogP2.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide (CID 63141358) is 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCCCOCc2ccccc2)CCNC1.
What is the InChIKey of 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is FDOKYEUUUWURTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-17(9-11-18-14-17)16(20)19-10-6-12-21-13-15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).