1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea

C13H23N3O3 — CID 47277900

IUPAC1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
SMILESO=C(NCC(=O)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H23N3O3/c17-12(16-6-8-19-9-7-16)10-14-13(18)15-11-4-2-1-3-5-11/h11H,1-10H2,(H2,14,15,18)
InChIKeySSESHVWGFRBHHV-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.48
Rot. Bonds3

About 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea

1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea (PubChem CID 47277900) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
PubChem CID47277900
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
SMILESO=C(NCC(=O)N1CCOCC1)NC1CCCCC1
InChIInChI=1S/C13H23N3O3/c17-12(16-6-8-19-9-7-16)10-14-13(18)15-11-4-2-1-3-5-11/h11H,1-10H2,(H2,14,15,18)
InChIKeySSESHVWGFRBHHV-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 119412871
1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119354365
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
1-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-cyclohexylurea
CID 94825981
1-cyclohexyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347766
1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
CID 112994194
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 120659500
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea (CID 47277900) is 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea is O=C(NCC(=O)N1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The InChIKey is SSESHVWGFRBHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-12(16-6-8-19-9-7-16)10-14-13(18)15-11-4-2-1-3-5-11/h11H,1-10H2,(H2,14,15,18).
What are the key properties of 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea?
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea has a molecular weight of 269.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea is sourced from PubChem (CID 47277900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).