1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea

C12H25N3O2 — CID 58817789

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea
SMILESCCNC(=O)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H25N3O2/c1-4-13-12(16)14-6-5-7-15-8-10(2)17-11(3)9-15/h10-11H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyZNJVUQCMXFYVID-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.80
Rot. Bonds5

About 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea (PubChem CID 58817789) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea
PubChem CID58817789
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea
SMILESCCNC(=O)NCCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H25N3O2/c1-4-13-12(16)14-6-5-7-15-8-10(2)17-11(3)9-15/h10-11H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyZNJVUQCMXFYVID-UHFFFAOYSA-N
XLogP0.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea (CID 58817789) is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea is CCNC(=O)NCCCN1CC(C)OC(C)C1.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea?
The InChIKey is ZNJVUQCMXFYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-13-12(16)14-6-5-7-15-8-10(2)17-11(3)9-15/h10-11H,4-9H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea?
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea has a molecular weight of 243.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethylurea is sourced from PubChem (CID 58817789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).