1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea

C10H20N2O2 — CID 103338601

IUPAC1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NC(C)C
InChIInChI=1S/C10H20N2O2/c1-5-6-12(7-8-14-4)10(13)11-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,11,13)
InChIKeyNJGYHEWNFKFZMI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.24
Rot. Bonds6

About 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea

1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea (PubChem CID 103338601) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea
PubChem CID103338601
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NC(C)C
InChIInChI=1S/C10H20N2O2/c1-5-6-12(7-8-14-4)10(13)11-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,11,13)
InChIKeyNJGYHEWNFKFZMI-UHFFFAOYSA-N
XLogP1.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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)-3-propan-2-yl-1-prop-2-enylurea?
The IUPAC name of 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea (CID 103338601) is 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea?
The canonical SMILES for 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea is C=CCN(CCOC)C(=O)NC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea?
The InChIKey is NJGYHEWNFKFZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-6-12(7-8-14-4)10(13)11-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,11,13).
What are the key properties of 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea?
1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea has a molecular weight of 200.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea is sourced from PubChem (CID 103338601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).