N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

C13H24N2O3 — CID 81219633

IUPACN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCCN(C(=O)CN1CC(CO)OCC1C)C1CC1
InChIInChI=1S/C13H24N2O3/c1-3-15(11-4-5-11)13(17)7-14-6-12(8-16)18-9-10(14)2/h10-12,16H,3-9H2,1-2H3
InChIKeyQJNBWDGLPGQNRJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.08
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (PubChem CID 81219633) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
PubChem CID81219633
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCCN(C(=O)CN1CC(CO)OCC1C)C1CC1
InChIInChI=1S/C13H24N2O3/c1-3-15(11-4-5-11)13(17)7-14-6-12(8-16)18-9-10(14)2/h10-12,16H,3-9H2,1-2H3
InChIKeyQJNBWDGLPGQNRJ-UHFFFAOYSA-N
XLogP0.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (CID 81219633) is N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is CCN(C(=O)CN1CC(CO)OCC1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The InChIKey is QJNBWDGLPGQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-15(11-4-5-11)13(17)7-14-6-12(8-16)18-9-10(14)2/h10-12,16H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 81219633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).