3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide

C17H25N3O — CID 75515530

IUPAC3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(c2ccccc2)C2CC2)C1
InChIInChI=1S/C17H25N3O/c1-2-18-17(21)20-11-10-15(12-20)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14-16,19H,2,8-12H2,1H3,(H,18,21)
InChIKeyGPORYBCAQMYEFS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.53
Rot. Bonds5

About 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide

3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 75515530) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID75515530
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(c2ccccc2)C2CC2)C1
InChIInChI=1S/C17H25N3O/c1-2-18-17(21)20-11-10-15(12-20)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14-16,19H,2,8-12H2,1H3,(H,18,21)
InChIKeyGPORYBCAQMYEFS-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1-Benzyl-azepin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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N-benzylpyrrolidine-1-carboxamide
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Simufilam
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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide (CID 75515530) is 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(c2ccccc2)C2CC2)C1.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is GPORYBCAQMYEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-18-17(21)20-11-10-15(12-20)19-16(14-8-9-14)13-6-4-3-5-7-13/h3-7,14-16,19H,2,8-12H2,1H3,(H,18,21).
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide?
3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 75515530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).