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

C12H24N2O3 — CID 108911092

IUPAC1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCOCCN(CCOC)C(=O)N/C=C/C(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2)5-6-13-12(15)14(7-9-16-3)8-10-17-4/h5-6,11H,7-10H2,1-4H3,(H,13,15)/b6-5+
InChIKeyUSQXNMYVGIVRJI-AATRIKPKSA-N
MW244.33 g/mol
LogP1.46
Rot. Bonds8

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

1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911092) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911092
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCOCCN(CCOC)C(=O)N/C=C/C(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2)5-6-13-12(15)14(7-9-16-3)8-10-17-4/h5-6,11H,7-10H2,1-4H3,(H,13,15)/b6-5+
InChIKeyUSQXNMYVGIVRJI-AATRIKPKSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[2-(2-methylpropoxy)ethyl]-1H-imidazol-2-one
CID 103126057
1-(2-Methoxyethyl)-3-methyl-1-prop-2-enylurea
CID 103338599
3-(2-But-3-enoxyethyl)-1,1-diethylurea
CID 103853996
3-(2-but-3-enoxyethyl)-1H-imidazol-2-one
CID 106410002
3-Ethenyl-1,1-bis(2-methoxyethyl)urea
CID 108909235
N-[(E)-prop-1-enyl]morpholine-4-carboxamide
CID 108909460
1,1-bis(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
CID 108909605
1,1-Bis(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909976
N-[(E)-but-1-enyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108910537
1-[(E)-but-1-enyl]-3-(2-methoxyethyl)urea
CID 108910544
N-[(E)-but-1-enyl]morpholine-4-carboxamide
CID 108910572

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea (CID 108911092) is 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea is COCCN(CCOC)C(=O)N/C=C/C(C)C.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is USQXNMYVGIVRJI-AATRIKPKSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2)5-6-13-12(15)14(7-9-16-3)8-10-17-4/h5-6,11H,7-10H2,1-4H3,(H,13,15)/b6-5+.
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea?
1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 244.33 g/mol, XLogP of 1.46, 8 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)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).