N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H27ClN2O3 — CID 119792152

IUPACN-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cc(NC(=O)CC2CCCN2)ccc1OC1CCOCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-13-11-15(20-18(21)12-14-3-2-8-19-14)4-5-17(13)23-16-6-9-22-10-7-16;/h4-5,11,14,16,19H,2-3,6-10,12H2,1H3,(H,20,21);1H
InChIKeyZPDIYDCNCQQURV-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.06
Rot. Bonds5

About N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119792152) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119792152
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1cc(NC(=O)CC2CCCN2)ccc1OC1CCOCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-13-11-15(20-18(21)12-14-3-2-8-19-14)4-5-17(13)23-16-6-9-22-10-7-16;/h4-5,11,14,16,19H,2-3,6-10,12H2,1H3,(H,20,21);1H
InChIKeyZPDIYDCNCQQURV-UHFFFAOYSA-N
XLogP3.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119328337
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[4-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119798692
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-[2-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119808751
N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119791373
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide
CID 119798990

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119792152) is N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1cc(NC(=O)CC2CCCN2)ccc1OC1CCOCC1.Cl.
What is the InChIKey of N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is ZPDIYDCNCQQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-13-11-15(20-18(21)12-14-3-2-8-19-14)4-5-17(13)23-16-6-9-22-10-7-16;/h4-5,11,14,16,19H,2-3,6-10,12H2,1H3,(H,20,21);1H.
What are the key properties of N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119792152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).