2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride

C16H25ClN2O2 — CID 3052204

IUPAC2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(Oc1ccccc1)C(=O)NCCN1CCCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,20-14-8-4-3-5-9-14)15(19)17-10-13-18-11-6-7-12-18;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19);1H
InChIKeyIQFGYWIQDDQACO-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.48
Rot. Bonds6

About 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride

2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride (PubChem CID 3052204) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride
PubChem CID3052204
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(Oc1ccccc1)C(=O)NCCN1CCCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,20-14-8-4-3-5-9-14)15(19)17-10-13-18-11-6-7-12-18;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19);1H
InChIKeyIQFGYWIQDDQACO-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride (CID 3052204) is 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride is CC(C)(Oc1ccccc1)C(=O)NCCN1CCCC1.Cl.
What is the InChIKey of 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is IQFGYWIQDDQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(2,20-14-8-4-3-5-9-14)15(19)17-10-13-18-11-6-7-12-18;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride?
2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 3052204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).