1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea

C14H29N3O4 — CID 19598338

IUPAC1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea
SMILESCCCCCCNC(=O)NOCC(O)CN1CCOCC1
InChIInChI=1S/C14H29N3O4/c1-2-3-4-5-6-15-14(19)16-21-12-13(18)11-17-7-9-20-10-8-17/h13,18H,2-12H2,1H3,(H2,15,16,19)
InChIKeyMZBMLDIDUKJPMT-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.49
Rot. Bonds10

About 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea

1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea (PubChem CID 19598338) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea.

Molecular Properties

Compound Name1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea
PubChem CID19598338
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Name1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea
SMILESCCCCCCNC(=O)NOCC(O)CN1CCOCC1
InChIInChI=1S/C14H29N3O4/c1-2-3-4-5-6-15-14(19)16-21-12-13(18)11-17-7-9-20-10-8-17/h13,18H,2-12H2,1H3,(H2,15,16,19)
InChIKeyMZBMLDIDUKJPMT-UHFFFAOYSA-N
XLogP0.49
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea?
The IUPAC name of 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea (CID 19598338) is 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea.
What is the SMILES notation for 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea?
The canonical SMILES for 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea is CCCCCCNC(=O)NOCC(O)CN1CCOCC1.
What is the InChIKey of 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea?
The InChIKey is MZBMLDIDUKJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-2-3-4-5-6-15-14(19)16-21-12-13(18)11-17-7-9-20-10-8-17/h13,18H,2-12H2,1H3,(H2,15,16,19).
What are the key properties of 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea?
1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea has a molecular weight of 303.40 g/mol, XLogP of 0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(2-hydroxy-3-morpholin-4-ylpropoxy)urea is sourced from PubChem (CID 19598338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).