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

C15H23ClN2O2 — CID 119454143

IUPAC3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC2CCNC2)c1C.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-4-3-5-14(12(11)2)19-9-7-15(18)17-13-6-8-16-10-13;/h3-5,13,16H,6-10H2,1-2H3,(H,17,18);1H
InChIKeyOAPSNDSYRYHMKN-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.97
Rot. Bonds5

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

3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119454143) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119454143
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC2CCNC2)c1C.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-4-3-5-14(12(11)2)19-9-7-15(18)17-13-6-8-16-10-13;/h3-5,13,16H,6-10H2,1-2H3,(H,17,18);1H
InChIKeyOAPSNDSYRYHMKN-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
3-(2,3-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119444434
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119385928
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
CID 119427117
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450421
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119454143) is 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cc1cccc(OCCC(=O)NC2CCNC2)c1C.Cl.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is OAPSNDSYRYHMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-4-3-5-14(12(11)2)19-9-7-15(18)17-13-6-8-16-10-13;/h3-5,13,16H,6-10H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119454143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).