N-(4-acetyloxan-4-yl)acetamide

C9H15NO3 — CID 118218318

IUPACN-(4-acetyloxan-4-yl)acetamide
SMILESCC(=O)NC1(C(C)=O)CCOCC1
InChIInChI=1S/C9H15NO3/c1-7(11)9(10-8(2)12)3-5-13-6-4-9/h3-6H2,1-2H3,(H,10,12)
InChIKeyRECVZDURJGSEDE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.26
Rot. Bonds2

About N-(4-acetyloxan-4-yl)acetamide

N-(4-acetyloxan-4-yl)acetamide (PubChem CID 118218318) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(4-acetyloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyloxan-4-yl)acetamide
PubChem CID118218318
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(4-acetyloxan-4-yl)acetamide
SMILESCC(=O)NC1(C(C)=O)CCOCC1
InChIInChI=1S/C9H15NO3/c1-7(11)9(10-8(2)12)3-5-13-6-4-9/h3-6H2,1-2H3,(H,10,12)
InChIKeyRECVZDURJGSEDE-UHFFFAOYSA-N
XLogP0.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyloxan-4-yl)acetamide?
The IUPAC name of N-(4-acetyloxan-4-yl)acetamide (CID 118218318) is N-(4-acetyloxan-4-yl)acetamide.
What is the SMILES notation for N-(4-acetyloxan-4-yl)acetamide?
The canonical SMILES for N-(4-acetyloxan-4-yl)acetamide is CC(=O)NC1(C(C)=O)CCOCC1.
What is the InChIKey of N-(4-acetyloxan-4-yl)acetamide?
The InChIKey is RECVZDURJGSEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(11)9(10-8(2)12)3-5-13-6-4-9/h3-6H2,1-2H3,(H,10,12).
What are the key properties of N-(4-acetyloxan-4-yl)acetamide?
N-(4-acetyloxan-4-yl)acetamide has a molecular weight of 185.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyloxan-4-yl)acetamide is sourced from PubChem (CID 118218318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).