1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea

C14H26N2O2 — CID 108913483

IUPAC1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea
SMILESCCCCOCCCNC(=O)NC=C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-2-3-10-18-11-6-9-15-14(17)16-12-13-7-4-5-8-13/h12H,2-11H2,1H3,(H2,15,16,17)
InChIKeyRILJSNCLMUTQLG-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.95
Rot. Bonds8

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

1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea (PubChem CID 108913483) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea
PubChem CID108913483
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea
SMILESCCCCOCCCNC(=O)NC=C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-2-3-10-18-11-6-9-15-14(17)16-12-13-7-4-5-8-13/h12H,2-11H2,1H3,(H2,15,16,17)
InChIKeyRILJSNCLMUTQLG-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.95
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-(cyclopentylidenemethyl)urea?
The IUPAC name of 1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea (CID 108913483) is 1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea.
What is the SMILES notation for 1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea?
The canonical SMILES for 1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea is CCCCOCCCNC(=O)NC=C1CCCC1.
What is the InChIKey of 1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea?
The InChIKey is RILJSNCLMUTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-10-18-11-6-9-15-14(17)16-12-13-7-4-5-8-13/h12H,2-11H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea?
1-(3-butoxypropyl)-3-(cyclopentylidenemethyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.95, 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-(cyclopentylidenemethyl)urea is sourced from PubChem (CID 108913483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).