2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C18H26N2O3 — CID 132948417

IUPAC2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N1CCCC1(CO)CC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C18H26N2O3/c1-14-7-4-5-8-16(14)12-19(3)17(23)11-18(13-21)9-6-10-20(18)15(2)22/h4-5,7-8,21H,6,9-13H2,1-3H3
InChIKeySRAYLKRZVLFWLX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.72
Rot. Bonds5

About 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 132948417) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID132948417
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N1CCCC1(CO)CC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C18H26N2O3/c1-14-7-4-5-8-16(14)12-19(3)17(23)11-18(13-21)9-6-10-20(18)15(2)22/h4-5,7-8,21H,6,9-13H2,1-3H3
InChIKeySRAYLKRZVLFWLX-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 132948417) is 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is CC(=O)N1CCCC1(CO)CC(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is SRAYLKRZVLFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-7-4-5-8-16(14)12-19(3)17(23)11-18(13-21)9-6-10-20(18)15(2)22/h4-5,7-8,21H,6,9-13H2,1-3H3.
What are the key properties of 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-2-(hydroxymethyl)pyrrolidin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 132948417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).