N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride

C16H25ClN2O2 — CID 120947292

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)(C)C(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-4-6-13(7-5-11)16(2,3)15(20)18-9-12-8-17-10-14(12)19;/h4-7,12,14,17,19H,8-10H2,1-3H3,(H,18,20);1H
InChIKeyJICLOHYUXHGUEA-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.39
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 120947292) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
PubChem CID120947292
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(C(C)(C)C(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-4-6-13(7-5-11)16(2,3)15(20)18-9-12-8-17-10-14(12)19;/h4-7,12,14,17,19H,8-10H2,1-3H3,(H,18,20);1H
InChIKeyJICLOHYUXHGUEA-UHFFFAOYSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride (CID 120947292) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(C(C)(C)C(=O)NCC2CNCC2O)cc1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is JICLOHYUXHGUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-4-6-13(7-5-11)16(2,3)15(20)18-9-12-8-17-10-14(12)19;/h4-7,12,14,17,19H,8-10H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120947292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).