(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide

C15H19N3O2 — CID 97023654

IUPAC(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H19N3O2/c1-12-6-8-18(11-12)15(19)17-7-9-20-14-4-2-13(10-16)3-5-14/h2-5,12H,6-9,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyIFEKFEVYXPVGSH-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds4

About (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide

(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 97023654) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide
PubChem CID97023654
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H19N3O2/c1-12-6-8-18(11-12)15(19)17-7-9-20-14-4-2-13(10-16)3-5-14/h2-5,12H,6-9,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyIFEKFEVYXPVGSH-GFCCVEGCSA-N
XLogP1.99
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-cyanophenoxy)ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71867864
(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 124623151
N-butyl-8-[2-(4-cyanophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 22235678
(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 100641037
8-[2-amino-4-(4-cyanophenoxy)butyl]-N-propyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 22235599
4-[[3-(3-methylpyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 86957431
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
CID 122566406
4-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111437978

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide (CID 97023654) is (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide is C[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1.
What is the InChIKey of (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is IFEKFEVYXPVGSH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-6-8-18(11-12)15(19)17-7-9-20-14-4-2-13(10-16)3-5-14/h2-5,12H,6-9,11H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide?
(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97023654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).