1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea

C20H31N3O3 — CID 25015124

IUPAC1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC1CCCCC1
InChIInChI=1S/C20H31N3O3/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)26-14-4-11-23-12-15-25-16-13-23/h7-10,17H,1-6,11-16H2,(H2,21,22,24)
InChIKeyNRPGYHVVWXOCRI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.24
Rot. Bonds7

About 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea

1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 25015124) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID25015124
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC1CCCCC1
InChIInChI=1S/C20H31N3O3/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)26-14-4-11-23-12-15-25-16-13-23/h7-10,17H,1-6,11-16H2,(H2,21,22,24)
InChIKeyNRPGYHVVWXOCRI-UHFFFAOYSA-N
XLogP3.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 25015124) is 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea is O=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is NRPGYHVVWXOCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)26-14-4-11-23-12-15-25-16-13-23/h7-10,17H,1-6,11-16H2,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea has a molecular weight of 361.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 25015124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).