4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119695673

IUPAC4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(OCCN(C)C(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-4-3-5-13(8-11)20-7-6-17(2)15(19)14-9-12(18)10-16-14;/h3-5,8,12,14,16,18H,6-7,9-10H2,1-2H3;1H
InChIKeyMEVNQYYSJNHFAF-UHFFFAOYSA-N
MW314.81 g/mol
LogP0.98
Rot. Bonds5

About 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119695673) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119695673
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc(OCCN(C)C(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-4-3-5-13(8-11)20-7-6-17(2)15(19)14-9-12(18)10-16-14;/h3-5,8,12,14,16,18H,6-7,9-10H2,1-2H3;1H
InChIKeyMEVNQYYSJNHFAF-UHFFFAOYSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 60946282
(2R,4S)-N-[3-(4-chlorophenoxy)propyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138836
(2R,3S)-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920159
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
CID 62675082
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 124726613

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119695673) is 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cccc(OCCN(C)C(=O)C2CC(O)CN2)c1.Cl.
What is the InChIKey of 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MEVNQYYSJNHFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11-4-3-5-13(8-11)20-7-6-17(2)15(19)14-9-12(18)10-16-14;/h3-5,8,12,14,16,18H,6-7,9-10H2,1-2H3;1H.
What are the key properties of 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119695673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).