N-[(2-methyloxan-4-yl)methyl]acetamide

C9H17NO2 — CID 127727731

IUPACN-[(2-methyloxan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCOC(C)C1
InChIInChI=1S/C9H17NO2/c1-7-5-9(3-4-12-7)6-10-8(2)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyJRJBRPHPYMQETE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About N-[(2-methyloxan-4-yl)methyl]acetamide

N-[(2-methyloxan-4-yl)methyl]acetamide (PubChem CID 127727731) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(2-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyloxan-4-yl)methyl]acetamide
PubChem CID127727731
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(2-methyloxan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCOC(C)C1
InChIInChI=1S/C9H17NO2/c1-7-5-9(3-4-12-7)6-10-8(2)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyJRJBRPHPYMQETE-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of N-[(2-methyloxan-4-yl)methyl]acetamide (CID 127727731) is N-[(2-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methyloxan-4-yl)methyl]acetamide is CC(=O)NCC1CCOC(C)C1.
What is the InChIKey of N-[(2-methyloxan-4-yl)methyl]acetamide?
The InChIKey is JRJBRPHPYMQETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-9(3-4-12-7)6-10-8(2)11/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-[(2-methyloxan-4-yl)methyl]acetamide?
N-[(2-methyloxan-4-yl)methyl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 127727731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).