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

C18H29ClN2O2 — CID 119513815

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12(2)16-8-7-13(3)10-17(16)22-14(4)18(21)20-11-15-6-5-9-19-15;/h7-8,10,12,14-15,19H,5-6,9,11H2,1-4H3,(H,20,21);1H
InChIKeyXRDJLFHBZFGRMN-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.18
Rot. Bonds6

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

2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119513815) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119513815
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)NCC2CCCN2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12(2)16-8-7-13(3)10-17(16)22-14(4)18(21)20-11-15-6-5-9-19-15;/h7-8,10,12,14-15,19H,5-6,9,11H2,1-4H3,(H,20,21);1H
InChIKeyXRDJLFHBZFGRMN-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
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N-(2-methylpiperidin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
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(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
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(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
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N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119513815) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is Cc1ccc(C(C)C)c(OC(C)C(=O)NCC2CCCN2)c1.Cl.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is XRDJLFHBZFGRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-12(2)16-8-7-13(3)10-17(16)22-14(4)18(21)20-11-15-6-5-9-19-15;/h7-8,10,12,14-15,19H,5-6,9,11H2,1-4H3,(H,20,21);1H.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119513815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).