N,N-dimethyl-2-(oxan-4-yl)acetamide

C9H17NO2 — CID 130688592

IUPACN,N-dimethyl-2-(oxan-4-yl)acetamide
SMILESCN(C)C(=O)CC1CCOCC1
InChIInChI=1S/C9H17NO2/c1-10(2)9(11)7-8-3-5-12-6-4-8/h8H,3-7H2,1-2H3
InChIKeyBUPAGIIIQIQNBX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About N,N-dimethyl-2-(oxan-4-yl)acetamide

N,N-dimethyl-2-(oxan-4-yl)acetamide (PubChem CID 130688592) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(oxan-4-yl)acetamide
PubChem CID130688592
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N-dimethyl-2-(oxan-4-yl)acetamide
SMILESCN(C)C(=O)CC1CCOCC1
InChIInChI=1S/C9H17NO2/c1-10(2)9(11)7-8-3-5-12-6-4-8/h8H,3-7H2,1-2H3
InChIKeyBUPAGIIIQIQNBX-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(oxan-4-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(oxan-4-yl)acetamide (CID 130688592) is N,N-dimethyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(oxan-4-yl)acetamide is CN(C)C(=O)CC1CCOCC1.
What is the InChIKey of N,N-dimethyl-2-(oxan-4-yl)acetamide?
The InChIKey is BUPAGIIIQIQNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(2)9(11)7-8-3-5-12-6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(oxan-4-yl)acetamide?
N,N-dimethyl-2-(oxan-4-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 130688592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).