N-[4-(oxan-4-yl)butan-2-yl]acetamide

C11H21NO2 — CID 89138306

IUPACN-[4-(oxan-4-yl)butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(12-10(2)13)3-4-11-5-7-14-8-6-11/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyWNIXQRLVRCKGTG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About N-[4-(oxan-4-yl)butan-2-yl]acetamide

N-[4-(oxan-4-yl)butan-2-yl]acetamide (PubChem CID 89138306) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[4-(oxan-4-yl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(oxan-4-yl)butan-2-yl]acetamide
PubChem CID89138306
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[4-(oxan-4-yl)butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(12-10(2)13)3-4-11-5-7-14-8-6-11/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyWNIXQRLVRCKGTG-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-yl)butan-2-yl]acetamide?
The IUPAC name of N-[4-(oxan-4-yl)butan-2-yl]acetamide (CID 89138306) is N-[4-(oxan-4-yl)butan-2-yl]acetamide.
What is the SMILES notation for N-[4-(oxan-4-yl)butan-2-yl]acetamide?
The canonical SMILES for N-[4-(oxan-4-yl)butan-2-yl]acetamide is CC(=O)NC(C)CCC1CCOCC1.
What is the InChIKey of N-[4-(oxan-4-yl)butan-2-yl]acetamide?
The InChIKey is WNIXQRLVRCKGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(12-10(2)13)3-4-11-5-7-14-8-6-11/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[4-(oxan-4-yl)butan-2-yl]acetamide?
N-[4-(oxan-4-yl)butan-2-yl]acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-yl)butan-2-yl]acetamide is sourced from PubChem (CID 89138306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).