1-ethyl-3-(morpholin-3-ylmethyl)urea

C8H17N3O2 — CID 103548754

IUPAC1-ethyl-3-(morpholin-3-ylmethyl)urea
SMILESCCNC(=O)NCC1COCCN1
InChIInChI=1S/C8H17N3O2/c1-2-9-8(12)11-5-7-6-13-4-3-10-7/h7,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyCXIGSKCRISTLJC-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.71
Rot. Bonds3

About 1-ethyl-3-(morpholin-3-ylmethyl)urea

1-ethyl-3-(morpholin-3-ylmethyl)urea (PubChem CID 103548754) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-ethyl-3-(morpholin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(morpholin-3-ylmethyl)urea
PubChem CID103548754
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-ethyl-3-(morpholin-3-ylmethyl)urea
SMILESCCNC(=O)NCC1COCCN1
InChIInChI=1S/C8H17N3O2/c1-2-9-8(12)11-5-7-6-13-4-3-10-7/h7,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyCXIGSKCRISTLJC-UHFFFAOYSA-N
XLogP-0.71
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(morpholin-3-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-(morpholin-3-ylmethyl)urea (CID 103548754) is 1-ethyl-3-(morpholin-3-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-(morpholin-3-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-(morpholin-3-ylmethyl)urea is CCNC(=O)NCC1COCCN1.
What is the InChIKey of 1-ethyl-3-(morpholin-3-ylmethyl)urea?
The InChIKey is CXIGSKCRISTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-9-8(12)11-5-7-6-13-4-3-10-7/h7,10H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-ethyl-3-(morpholin-3-ylmethyl)urea?
1-ethyl-3-(morpholin-3-ylmethyl)urea has a molecular weight of 187.24 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(morpholin-3-ylmethyl)urea is sourced from PubChem (CID 103548754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).