N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H29ClN2O2 — CID 119811513

IUPACN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CC2CCCN2)c(OC(C)(C)C)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13-7-8-14(16(10-13)22-18(2,3)4)12-20-17(21)11-15-6-5-9-19-15;/h7-8,10,15,19H,5-6,9,11-12H2,1-4H3,(H,20,21);1H
InChIKeyHYDVVVVYFGHJGA-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.35
Rot. Bonds5

About N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119811513) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119811513
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CC2CCCN2)c(OC(C)(C)C)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13-7-8-14(16(10-13)22-18(2,3)4)12-20-17(21)11-15-6-5-9-19-15;/h7-8,10,15,19H,5-6,9,11-12H2,1-4H3,(H,20,21);1H
InChIKeyHYDVVVVYFGHJGA-UHFFFAOYSA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902
N-[2-methyl-2-(3-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757018
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
N-[2-methyl-2-(4-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119775261
4-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 119339529
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119811513) is N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1ccc(CNC(=O)CC2CCCN2)c(OC(C)(C)C)c1.Cl.
What is the InChIKey of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is HYDVVVVYFGHJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-13-7-8-14(16(10-13)22-18(2,3)4)12-20-17(21)11-15-6-5-9-19-15;/h7-8,10,15,19H,5-6,9,11-12H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119811513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).