1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea

C9H18N2O2 — CID 108909811

IUPAC1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea
SMILESCOCCCNC(=O)NC=C(C)C
InChIInChI=1S/C9H18N2O2/c1-8(2)7-11-9(12)10-5-4-6-13-3/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyOQZSWOYYLFDKCK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.25
Rot. Bonds5

About 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea

1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909811) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909811
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea
SMILESCOCCCNC(=O)NC=C(C)C
InChIInChI=1S/C9H18N2O2/c1-8(2)7-11-9(12)10-5-4-6-13-3/h7H,4-6H2,1-3H3,(H2,10,11,12)
InChIKeyOQZSWOYYLFDKCK-UHFFFAOYSA-N
XLogP1.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.25
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-methoxypropyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea (CID 108909811) is 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea is COCCCNC(=O)NC=C(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is OQZSWOYYLFDKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)7-11-9(12)10-5-4-6-13-3/h7H,4-6H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea?
1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 186.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).