1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea

C12H22N2O2 — CID 108913475

IUPAC1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)NC=C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-16-9-5-8-13-12(15)14-10-11-6-3-4-7-11/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeyWJXMLDUOGGPZQU-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.17
Rot. Bonds6

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

1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea (PubChem CID 108913475) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea
PubChem CID108913475
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea
SMILESCCOCCCNC(=O)NC=C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-16-9-5-8-13-12(15)14-10-11-6-3-4-7-11/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeyWJXMLDUOGGPZQU-UHFFFAOYSA-N
XLogP2.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.17
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-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea (CID 108913475) is 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea is CCOCCCNC(=O)NC=C1CCCC1.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea?
The InChIKey is WJXMLDUOGGPZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-9-5-8-13-12(15)14-10-11-6-3-4-7-11/h10H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea?
1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea has a molecular weight of 226.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-(3-ethoxypropyl)urea is sourced from PubChem (CID 108913475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).