1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea

C15H28N2O2 — CID 108912419

IUPAC1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea
SMILESCCCCOCCCNC(=O)NC=C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-2-3-11-19-12-7-10-16-15(18)17-13-14-8-5-4-6-9-14/h13H,2-12H2,1H3,(H2,16,17,18)
InChIKeyJHXCLQWPJDFRBX-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.34
Rot. Bonds8

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

1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea (PubChem CID 108912419) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea
PubChem CID108912419
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea
SMILESCCCCOCCCNC(=O)NC=C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-2-3-11-19-12-7-10-16-15(18)17-13-14-8-5-4-6-9-14/h13H,2-12H2,1H3,(H2,16,17,18)
InChIKeyJHXCLQWPJDFRBX-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.34
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-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea?
The IUPAC name of 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea (CID 108912419) is 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea.
What is the SMILES notation for 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea?
The canonical SMILES for 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea is CCCCOCCCNC(=O)NC=C1CCCCC1.
What is the InChIKey of 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea?
The InChIKey is JHXCLQWPJDFRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-11-19-12-7-10-16-15(18)17-13-14-8-5-4-6-9-14/h13H,2-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea?
1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea has a molecular weight of 268.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-(cyclohexylidenemethyl)urea is sourced from PubChem (CID 108912419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).