N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119300007

IUPACN-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(OCC(C)NC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-13(9-11)19-10-12(2)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
InChIKeyHQHYDJUWNWQZJZ-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.05
Rot. Bonds5

About N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119300007) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119300007
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(OCC(C)NC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-13(9-11)19-10-12(2)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
InChIKeyHQHYDJUWNWQZJZ-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

(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299994
N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 119301760
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802
N-[1-(3-methylphenoxy)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 86828412
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119300007) is N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cccc(OCC(C)NC(=O)C2CCCN2)c1.Cl.
What is the InChIKey of N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HQHYDJUWNWQZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-5-3-6-13(9-11)19-10-12(2)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-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-(3-methylphenoxy)propan-2-yl]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-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119300007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).