2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide

C16H22N2O3 — CID 71974395

IUPAC2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
SMILESCC(=O)NCC(=O)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C16H22N2O3/c1-13(19)17-11-16(20)18(15-8-10-21-12-15)9-7-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,17,19)
InChIKeySFAGKBTTZASVJE-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.98
Rot. Bonds6

About 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide

2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 71974395) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID71974395
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
SMILESCC(=O)NCC(=O)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C16H22N2O3/c1-13(19)17-11-16(20)18(15-8-10-21-12-15)9-7-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,17,19)
InChIKeySFAGKBTTZASVJE-UHFFFAOYSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide (CID 71974395) is 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide is CC(=O)NCC(=O)N(CCc1ccccc1)C1CCOC1.
What is the InChIKey of 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is SFAGKBTTZASVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(19)17-11-16(20)18(15-8-10-21-12-15)9-7-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,17,19).
What are the key properties of 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 71974395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).