3-morpholin-4-ylpropanamide

C7H14N2O2 — CID 840039

IUPAC3-morpholin-4-ylpropanamide
SMILESNC(=O)CCN1CCOCC1
InChIInChI=1S/C7H14N2O2/c8-7(10)1-2-9-3-5-11-6-4-9/h1-6H2,(H2,8,10)
InChIKeyZDIHWYALGKICMJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.81
Rot. Bonds3

About 3-morpholin-4-ylpropanamide

3-morpholin-4-ylpropanamide (PubChem CID 840039) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name3-morpholin-4-ylpropanamide
PubChem CID840039
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-morpholin-4-ylpropanamide
SMILESNC(=O)CCN1CCOCC1
InChIInChI=1S/C7H14N2O2/c8-7(10)1-2-9-3-5-11-6-4-9/h1-6H2,(H2,8,10)
InChIKeyZDIHWYALGKICMJ-UHFFFAOYSA-N
XLogP-0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropanamide?
The IUPAC name of 3-morpholin-4-ylpropanamide (CID 840039) is 3-morpholin-4-ylpropanamide.
What is the SMILES notation for 3-morpholin-4-ylpropanamide?
The canonical SMILES for 3-morpholin-4-ylpropanamide is NC(=O)CCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropanamide?
The InChIKey is ZDIHWYALGKICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-7(10)1-2-9-3-5-11-6-4-9/h1-6H2,(H2,8,10).
What are the key properties of 3-morpholin-4-ylpropanamide?
3-morpholin-4-ylpropanamide has a molecular weight of 158.20 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropanamide is sourced from PubChem (CID 840039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).