2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C16H30N2O3 — CID 126822796

IUPAC2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CC(O)CC2(C)CO)CC1
InChIInChI=1S/C16H30N2O3/c1-12-4-6-13(7-5-12)17(3)15(21)10-18-9-14(20)8-16(18,2)11-19/h12-14,19-20H,4-11H2,1-3H3
InChIKeyBHGZGHZCPGUCHR-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.84
Rot. Bonds4

About 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 126822796) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID126822796
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CN2CC(O)CC2(C)CO)CC1
InChIInChI=1S/C16H30N2O3/c1-12-4-6-13(7-5-12)17(3)15(21)10-18-9-14(20)8-16(18,2)11-19/h12-14,19-20H,4-11H2,1-3H3
InChIKeyBHGZGHZCPGUCHR-UHFFFAOYSA-N
XLogP0.84
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 126822796) is 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CN2CC(O)CC2(C)CO)CC1.
What is the InChIKey of 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is BHGZGHZCPGUCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12-4-6-13(7-5-12)17(3)15(21)10-18-9-14(20)8-16(18,2)11-19/h12-14,19-20H,4-11H2,1-3H3.
What are the key properties of 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 126822796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).