1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

C16H31N3O2 — CID 4798569

IUPAC1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)11-19-8-9-21-15(12-19)10-17-16(20)18-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H2,17,18,20)
InChIKeyIVIBLNMCABFZNA-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.98
Rot. Bonds5

About 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (PubChem CID 4798569) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
PubChem CID4798569
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)11-19-8-9-21-15(12-19)10-17-16(20)18-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H2,17,18,20)
InChIKeyIVIBLNMCABFZNA-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (CID 4798569) is 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is CC(C)CN1CCOC(CNC(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The InChIKey is IVIBLNMCABFZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)11-19-8-9-21-15(12-19)10-17-16(20)18-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea has a molecular weight of 297.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 4798569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).