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

C20H37N3O2 — CID 55912395

IUPAC1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)N(CC2CCCCC2)C2CC2)C1
InChIInChI=1S/C20H37N3O2/c1-16(2)13-22-10-11-25-19(15-22)12-21-20(24)23(18-8-9-18)14-17-6-4-3-5-7-17/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyVPAXRLUTNIXCSJ-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.10
Rot. Bonds7

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

1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (PubChem CID 55912395) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
PubChem CID55912395
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)N(CC2CCCCC2)C2CC2)C1
InChIInChI=1S/C20H37N3O2/c1-16(2)13-22-10-11-25-19(15-22)12-21-20(24)23(18-8-9-18)14-17-6-4-3-5-7-17/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyVPAXRLUTNIXCSJ-UHFFFAOYSA-N
XLogP3.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (CID 55912395) is 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is CC(C)CN1CCOC(CNC(=O)N(CC2CCCCC2)C2CC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The InChIKey is VPAXRLUTNIXCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-16(2)13-22-10-11-25-19(15-22)12-21-20(24)23(18-8-9-18)14-17-6-4-3-5-7-17/h16-19H,3-15H2,1-2H3,(H,21,24).
What are the key properties of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea has a molecular weight of 351.54 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 55912395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).