1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea

C18H31N3O3 — CID 1444523

IUPAC1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
SMILESO=C(NC1CCCCC1)NC1(C(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C18H31N3O3/c22-16(21-11-13-24-14-12-21)18(9-5-2-6-10-18)20-17(23)19-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,20,23)
InChIKeyHEFMVQONDHWZTF-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.18
Rot. Bonds3

About 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea

1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea (PubChem CID 1444523) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
PubChem CID1444523
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
SMILESO=C(NC1CCCCC1)NC1(C(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C18H31N3O3/c22-16(21-11-13-24-14-12-21)18(9-5-2-6-10-18)20-17(23)19-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,20,23)
InChIKeyHEFMVQONDHWZTF-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea (CID 1444523) is 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea is O=C(NC1CCCCC1)NC1(C(=O)N2CCOCC2)CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
The InChIKey is HEFMVQONDHWZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c22-16(21-11-13-24-14-12-21)18(9-5-2-6-10-18)20-17(23)19-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,20,23).
What are the key properties of 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea has a molecular weight of 337.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 1444523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).