N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119335744

IUPACN-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(OC(C)CNC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-13(9-11)19-12(2)10-17-15(18)14-7-4-8-16-14;/h3,5-6,9,12,14,16H,4,7-8,10H2,1-2H3,(H,17,18);1H
InChIKeyZPZAHPBAWLPLSM-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119335744) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119335744
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(OC(C)CNC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-13(9-11)19-12(2)10-17-15(18)14-7-4-8-16-14;/h3,5-6,9,12,14,16H,4,7-8,10H2,1-2H3,(H,17,18);1H
InChIKeyZPZAHPBAWLPLSM-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
N-[2-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119330379
N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
CID 119804946
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119335744) is N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cccc(OC(C)CNC(=O)C2CCCN2)c1.Cl.
What is the InChIKey of N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZPZAHPBAWLPLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-13(9-11)19-12(2)10-17-15(18)14-7-4-8-16-14;/h3,5-6,9,12,14,16H,4,7-8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119335744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).