1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea

C13H24N2O2 — CID 108912411

IUPAC1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)NC=C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-6-9-14-13(16)15-11-12-7-4-3-5-8-12/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyQHAXICQOXNCEFA-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.56
Rot. Bonds6

About 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea

1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea (PubChem CID 108912411) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea
PubChem CID108912411
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)NC=C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-17-10-6-9-14-13(16)15-11-12-7-4-3-5-8-12/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyQHAXICQOXNCEFA-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea (CID 108912411) is 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea is CCOCCCNC(=O)NC=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea?
The InChIKey is QHAXICQOXNCEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-10-6-9-14-13(16)15-11-12-7-4-3-5-8-12/h11H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea?
1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea is sourced from PubChem (CID 108912411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).