N-acetyl-N-methylmorpholine-4-carboxamide

C8H14N2O3 — CID 20687119

IUPACN-acetyl-N-methylmorpholine-4-carboxamide
SMILESCC(=O)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O3/c1-7(11)9(2)8(12)10-3-5-13-6-4-10/h3-6H2,1-2H3
InChIKeyKAKIKVZKUKMIML-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.08
Rot. Bonds

About N-acetyl-N-methylmorpholine-4-carboxamide

N-acetyl-N-methylmorpholine-4-carboxamide (PubChem CID 20687119) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-acetyl-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-methylmorpholine-4-carboxamide
PubChem CID20687119
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-acetyl-N-methylmorpholine-4-carboxamide
SMILESCC(=O)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C8H14N2O3/c1-7(11)9(2)8(12)10-3-5-13-6-4-10/h3-6H2,1-2H3
InChIKeyKAKIKVZKUKMIML-UHFFFAOYSA-N
XLogP-0.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-acetyl-N-methylmorpholine-4-carboxamide (CID 20687119) is N-acetyl-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-acetyl-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-acetyl-N-methylmorpholine-4-carboxamide is CC(=O)N(C)C(=O)N1CCOCC1.
What is the InChIKey of N-acetyl-N-methylmorpholine-4-carboxamide?
The InChIKey is KAKIKVZKUKMIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-7(11)9(2)8(12)10-3-5-13-6-4-10/h3-6H2,1-2H3.
What are the key properties of N-acetyl-N-methylmorpholine-4-carboxamide?
N-acetyl-N-methylmorpholine-4-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 20687119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).