1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea

C10H20N2O3 — CID 108909605

IUPAC1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C10H20N2O3/c1-4-5-11-10(13)12(6-8-14-2)7-9-15-3/h4-5H,6-9H2,1-3H3,(H,11,13)/b5-4+
InChIKeyDSJCYEWXDLFICG-SNAWJCMRSA-N
MW216.28 g/mol
LogP0.82
Rot. Bonds7

About 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea

1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909605) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909605
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C10H20N2O3/c1-4-5-11-10(13)12(6-8-14-2)7-9-15-3/h4-5H,6-9H2,1-3H3,(H,11,13)/b5-4+
InChIKeyDSJCYEWXDLFICG-SNAWJCMRSA-N
XLogP0.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-(2-propoxyethyl)-[(E)-3-[3-(trimethylazaniumyl)propylcarbamoylamino]prop-1-enyl]azanium
CID 59817335
Dimethyl-(2-propoxyethyl)-[3-[3-(trimethylazaniumyl)propylcarbamoylamino]prop-1-enyl]azanium
CID 72569937
1-ethenyl-1-[2-[2-[2-oxo-3-[(E)-prop-1-enyl]imidazol-1-yl]ethoxy]ethyl]-3-[(E)-prop-1-enyl]urea
CID 130288243
N-ethenyl-N-[(Z)-2-(methylamino)ethenyl]morpholine-4-carboxamide
CID 155107348
1,1-Diethyl-3-(oxiran-2-yl)urea;prop-1-ene
CID 161135149
2-(2-oxo-1H-imidazol-3-yl)ethyl formate;prop-1-ene
CID 174498595
1-[3-(2-Methoxyethylamino)propyl]-3-methylimidazol-2-one
CID 80580544
1-Ethyl-3-[3-(2-methoxyethylamino)propyl]imidazol-2-one
CID 80580614
1-[3-(2-Methoxyethylamino)propyl]-3-propylimidazol-2-one
CID 80581782
1-[4-(2-Methoxyethylamino)butyl]-3-propylimidazol-2-one
CID 80582406
1-[4-(2-Methoxyethylamino)butyl]-3-methylimidazol-2-one
CID 80582451
1-[2-(2-Methoxyethylamino)ethyl]-3-propylimidazol-2-one
CID 80582455

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea (CID 108909605) is 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)N(CCOC)CCOC.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is DSJCYEWXDLFICG-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-11-10(13)12(6-8-14-2)7-9-15-3/h4-5H,6-9H2,1-3H3,(H,11,13)/b5-4+.
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 216.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).