N-[(4-methylmorpholin-3-yl)methyl]acetamide

C8H16N2O2 — CID 10035059

IUPACN-[(4-methylmorpholin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1COCCN1C
InChIInChI=1S/C8H16N2O2/c1-7(11)9-5-8-6-12-4-3-10(8)2/h8H,3-6H2,1-2H3,(H,9,11)
InChIKeyCMDJCUKMCGPIKI-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds2

About N-[(4-methylmorpholin-3-yl)methyl]acetamide

N-[(4-methylmorpholin-3-yl)methyl]acetamide (PubChem CID 10035059) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[(4-methylmorpholin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-3-yl)methyl]acetamide
PubChem CID10035059
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[(4-methylmorpholin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1COCCN1C
InChIInChI=1S/C8H16N2O2/c1-7(11)9-5-8-6-12-4-3-10(8)2/h8H,3-6H2,1-2H3,(H,9,11)
InChIKeyCMDJCUKMCGPIKI-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-3-yl)methyl]acetamide?
The IUPAC name of N-[(4-methylmorpholin-3-yl)methyl]acetamide (CID 10035059) is N-[(4-methylmorpholin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-methylmorpholin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(4-methylmorpholin-3-yl)methyl]acetamide is CC(=O)NCC1COCCN1C.
What is the InChIKey of N-[(4-methylmorpholin-3-yl)methyl]acetamide?
The InChIKey is CMDJCUKMCGPIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(11)9-5-8-6-12-4-3-10(8)2/h8H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-[(4-methylmorpholin-3-yl)methyl]acetamide?
N-[(4-methylmorpholin-3-yl)methyl]acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-3-yl)methyl]acetamide is sourced from PubChem (CID 10035059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).