2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

C19H31ClN2O2 — CID 119537381

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(2)17-6-5-14(3)18(11-17)23-15(4)19(22)21-10-8-16-7-9-20-12-16;/h5-6,11,13,15-16,20H,7-10,12H2,1-4H3,(H,21,22);1H
InChIKeyUWGYLFXFICOXDY-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.42
Rot. Bonds7

About 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride

2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119537381) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119537381
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)cc1OC(C)C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(2)17-6-5-14(3)18(11-17)23-15(4)19(22)21-10-8-16-7-9-20-12-16;/h5-6,11,13,15-16,20H,7-10,12H2,1-4H3,(H,21,22);1H
InChIKeyUWGYLFXFICOXDY-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428403
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389695
N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120554482
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535504
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119508717
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
2-naphthalen-2-yl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537609
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride (CID 119537381) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is Cc1ccc(C(C)C)cc1OC(C)C(=O)NCCC1CCNC1.Cl.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is UWGYLFXFICOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-13(2)17-6-5-14(3)18(11-17)23-15(4)19(22)21-10-8-16-7-9-20-12-16;/h5-6,11,13,15-16,20H,7-10,12H2,1-4H3,(H,21,22);1H.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride?
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119537381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).