3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea

C9H18N2O2 — CID 103338592

IUPAC3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NCC
InChIInChI=1S/C9H18N2O2/c1-4-6-11(7-8-13-3)9(12)10-5-2/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeySWGZSSDMPHRSRI-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.85
Rot. Bonds6

About 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea

3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea (PubChem CID 103338592) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
PubChem CID103338592
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NCC
InChIInChI=1S/C9H18N2O2/c1-4-6-11(7-8-13-3)9(12)10-5-2/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeySWGZSSDMPHRSRI-UHFFFAOYSA-N
XLogP0.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
CID 103339673
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 103339539
3-[[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]methyl]benzoic acid
CID 103339776
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339639
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 103339758
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea (CID 103338592) is 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea is C=CCN(CCOC)C(=O)NCC.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
The InChIKey is SWGZSSDMPHRSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-6-11(7-8-13-3)9(12)10-5-2/h4H,1,5-8H2,2-3H3,(H,10,12).
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea?
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea has a molecular weight of 186.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 103338592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).