1-(2-cyclohexyloxyethyl)-3-methylurea

C10H20N2O2 — CID 115588478

IUPAC1-(2-cyclohexyloxyethyl)-3-methylurea
SMILESCNC(=O)NCCOC1CCCCC1
InChIInChI=1S/C10H20N2O2/c1-11-10(13)12-7-8-14-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyUMJOJTGOXWNIRK-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds4

About 1-(2-cyclohexyloxyethyl)-3-methylurea

1-(2-cyclohexyloxyethyl)-3-methylurea (PubChem CID 115588478) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)-3-methylurea
PubChem CID115588478
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-cyclohexyloxyethyl)-3-methylurea
SMILESCNC(=O)NCCOC1CCCCC1
InChIInChI=1S/C10H20N2O2/c1-11-10(13)12-7-8-14-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyUMJOJTGOXWNIRK-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
CID 111428425
(2S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylbutanoic acid
CID 63834422
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
(2S,3S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 63834591

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)-3-methylurea?
The IUPAC name of 1-(2-cyclohexyloxyethyl)-3-methylurea (CID 115588478) is 1-(2-cyclohexyloxyethyl)-3-methylurea.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)-3-methylurea?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)-3-methylurea is CNC(=O)NCCOC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)-3-methylurea?
The InChIKey is UMJOJTGOXWNIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11-10(13)12-7-8-14-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-(2-cyclohexyloxyethyl)-3-methylurea?
1-(2-cyclohexyloxyethyl)-3-methylurea has a molecular weight of 200.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)-3-methylurea is sourced from PubChem (CID 115588478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).