3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C16H25ClN2O2 — CID 119551855

IUPAC3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCc1ccc(C)c(OCCC(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-4-5-13(2)15(10-12)20-9-7-16(19)18(3)14-6-8-17-11-14;/h4-5,10,14,17H,6-9,11H2,1-3H3;1H
InChIKeyCJTPJGLEIALOQY-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.31
Rot. Bonds5

About 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119551855) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119551855
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCc1ccc(C)c(OCCC(=O)N(C)C2CCNC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-4-5-13(2)15(10-12)20-9-7-16(19)18(3)14-6-8-17-11-14;/h4-5,10,14,17H,6-9,11H2,1-3H3;1H
InChIKeyCJTPJGLEIALOQY-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
3-(2,3-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119444434
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 134013720

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119551855) is 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cc1ccc(C)c(OCCC(=O)N(C)C2CCNC2)c1.Cl.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is CJTPJGLEIALOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12-4-5-13(2)15(10-12)20-9-7-16(19)18(3)14-6-8-17-11-14;/h4-5,10,14,17H,6-9,11H2,1-3H3;1H.
What are the key properties of 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119551855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).