2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide

C18H28N2O2 — CID 119451190

IUPAC2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)COc1ccc(C(C)(C)C(=O)NC2CCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)12-22-16-7-5-14(6-8-16)18(3,4)17(21)20-15-9-10-19-11-15/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyMHEWKMYZDYPHFZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.48
Rot. Bonds6

About 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide

2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide (PubChem CID 119451190) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
PubChem CID119451190
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide
SMILESCC(C)COc1ccc(C(C)(C)C(=O)NC2CCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-13(2)12-22-16-7-5-14(6-8-16)18(3,4)17(21)20-15-9-10-19-11-15/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyMHEWKMYZDYPHFZ-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-3-ylpropanamide
CID 119426016
2-methyl-N-(2-methylpiperidin-4-yl)-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 120602159
2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119454206
2-methyl-2-phenyl-N-pyrrolidin-3-ylpropanamide
CID 43603539
2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95501063
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 119320715
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
2-(4-bromophenyl)-2-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119390315
N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 111433792
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 119778685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide (CID 119451190) is 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide is CC(C)COc1ccc(C(C)(C)C(=O)NC2CCNC2)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide?
The InChIKey is MHEWKMYZDYPHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)12-22-16-7-5-14(6-8-16)18(3,4)17(21)20-15-9-10-19-11-15/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide?
2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylpropoxy)phenyl]-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119451190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).