1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea

C10H20N2O2 — CID 103338591

IUPAC1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea
SMILESC=CCN(CCOC)C(=O)NCCC
InChIInChI=1S/C10H20N2O2/c1-4-6-11-10(13)12(7-5-2)8-9-14-3/h5H,2,4,6-9H2,1,3H3,(H,11,13)
InChIKeyGFMFEJGVZWARCA-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.24
Rot. Bonds7

About 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea

1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea (PubChem CID 103338591) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea
PubChem CID103338591
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea
SMILESC=CCN(CCOC)C(=O)NCCC
InChIInChI=1S/C10H20N2O2/c1-4-6-11-10(13)12(7-5-2)8-9-14-3/h5H,2,4,6-9H2,1,3H3,(H,11,13)
InChIKeyGFMFEJGVZWARCA-UHFFFAOYSA-N
XLogP1.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea?
The IUPAC name of 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea (CID 103338591) is 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea?
The canonical SMILES for 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea is C=CCN(CCOC)C(=O)NCCC.
What is the InChIKey of 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea?
The InChIKey is GFMFEJGVZWARCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-6-11-10(13)12(7-5-2)8-9-14-3/h5H,2,4,6-9H2,1,3H3,(H,11,13).
What are the key properties of 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea?
1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea has a molecular weight of 200.28 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-prop-2-enyl-3-propylurea is sourced from PubChem (CID 103338591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).