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

C10H20N2O2 — CID 108909804

IUPAC1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea
SMILESCCOCCCNC(=O)NC=C(C)C
InChIInChI=1S/C10H20N2O2/c1-4-14-7-5-6-11-10(13)12-8-9(2)3/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyYGUITLZARIVDGM-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.64
Rot. Bonds6

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

1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909804) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909804
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea
SMILESCCOCCCNC(=O)NC=C(C)C
InChIInChI=1S/C10H20N2O2/c1-4-14-7-5-6-11-10(13)12-8-9(2)3/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyYGUITLZARIVDGM-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.64
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-ethoxypropyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea (CID 108909804) is 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea is CCOCCCNC(=O)NC=C(C)C.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is YGUITLZARIVDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-14-7-5-6-11-10(13)12-8-9(2)3/h8H,4-7H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea?
1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).