N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride

C22H27ClN2O2 — CID 166790541

IUPACN-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(OC2CC(NC(=O)C3CNCC3c3ccccc3)C2)cc1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-15-7-9-18(10-8-15)26-19-11-17(12-19)24-22(25)21-14-23-13-20(21)16-5-3-2-4-6-16;/h2-10,17,19-21,23H,11-14H2,1H3,(H,24,25);1H
InChIKeyHFKWVOLVVOEGMB-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.45
Rot. Bonds5

About N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride

N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 166790541) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID166790541
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(OC2CC(NC(=O)C3CNCC3c3ccccc3)C2)cc1.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-15-7-9-18(10-8-15)26-19-11-17(12-19)24-22(25)21-14-23-13-20(21)16-5-3-2-4-6-16;/h2-10,17,19-21,23H,11-14H2,1H3,(H,24,25);1H
InChIKeyHFKWVOLVVOEGMB-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride (CID 166790541) is N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(OC2CC(NC(=O)C3CNCC3c3ccccc3)C2)cc1.Cl.
What is the InChIKey of N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HFKWVOLVVOEGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-15-7-9-18(10-8-15)26-19-11-17(12-19)24-22(25)21-14-23-13-20(21)16-5-3-2-4-6-16;/h2-10,17,19-21,23H,11-14H2,1H3,(H,24,25);1H.
What are the key properties of N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride?
N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)cyclobutyl]-4-phenylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 166790541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).