N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide

C17H22N2O2 — CID 71956252

IUPACN-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)NC2CC2)C(c2ccccc2)C1
InChIInChI=1S/C17H22N2O2/c1-2-16(20)19-10-14(12-6-4-3-5-7-12)15(11-19)17(21)18-13-8-9-13/h3-7,13-15H,2,8-11H2,1H3,(H,18,21)
InChIKeyFEMIVVOFIAFAEG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.92
Rot. Bonds4

About N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide

N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide (PubChem CID 71956252) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide
PubChem CID71956252
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide
SMILESCCC(=O)N1CC(C(=O)NC2CC2)C(c2ccccc2)C1
InChIInChI=1S/C17H22N2O2/c1-2-16(20)19-10-14(12-6-4-3-5-7-12)15(11-19)17(21)18-13-8-9-13/h3-7,13-15H,2,8-11H2,1H3,(H,18,21)
InChIKeyFEMIVVOFIAFAEG-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide (CID 71956252) is N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide is CCC(=O)N1CC(C(=O)NC2CC2)C(c2ccccc2)C1.
What is the InChIKey of N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide?
The InChIKey is FEMIVVOFIAFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-16(20)19-10-14(12-6-4-3-5-7-12)15(11-19)17(21)18-13-8-9-13/h3-7,13-15H,2,8-11H2,1H3,(H,18,21).
What are the key properties of N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide?
N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-phenyl-1-propanoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 71956252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).