1-cyclohexyl-3-(3-methoxypropyl)urea

C11H22N2O2 — CID 4063047

IUPAC1-cyclohexyl-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-15-9-5-8-12-11(14)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,12,13,14)
InChIKeyMOONSPLDKBKNNN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds5

About 1-cyclohexyl-3-(3-methoxypropyl)urea

1-cyclohexyl-3-(3-methoxypropyl)urea (PubChem CID 4063047) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxypropyl)urea
PubChem CID4063047
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-cyclohexyl-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-15-9-5-8-12-11(14)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,12,13,14)
InChIKeyMOONSPLDKBKNNN-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
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

1-Cyclohexyl-3-methylurea
CID 308344
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
1-Cyclohexyl-3-ethylurea
CID 5151398
1-Cyclohexyl-3-propylurea
CID 280347
1-Cyclohexyl-3-pentylurea
CID 3408191
1-Cyclohexyl-3-(3-hydroxypropyl)urea
CID 2061174
N-Cyclohexyl-N'-(2-hydroxyethyl)urea
CID 522238

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxypropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-methoxypropyl)urea (CID 4063047) is 1-cyclohexyl-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxypropyl)urea is COCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxypropyl)urea?
The InChIKey is MOONSPLDKBKNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-15-9-5-8-12-11(14)13-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclohexyl-3-(3-methoxypropyl)urea?
1-cyclohexyl-3-(3-methoxypropyl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxypropyl)urea is sourced from PubChem (CID 4063047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).