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

C13H24N2O3 — CID 108915513

IUPAC3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C(\C)C1CC1
InChIInChI=1S/C13H24N2O3/c1-11(12-4-5-12)10-14-13(16)15(6-8-17-2)7-9-18-3/h10,12H,4-9H2,1-3H3,(H,14,16)/b11-10+
InChIKeyJXELCCPXEWVVAD-ZHACJKMWSA-N
MW256.35 g/mol
LogP1.60
Rot. Bonds8

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

3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108915513) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108915513
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N/C=C(\C)C1CC1
InChIInChI=1S/C13H24N2O3/c1-11(12-4-5-12)10-14-13(16)15(6-8-17-2)7-9-18-3/h10,12H,4-9H2,1-3H3,(H,14,16)/b11-10+
InChIKeyJXELCCPXEWVVAD-ZHACJKMWSA-N
XLogP1.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cycloheptylidenemethyl)-1-(2-methoxyethyl)-1-propylurea
CID 123272661
1,1-Bis(2-methoxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909976
1,1-bis(2-methoxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911092
3-(Cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108912584
1-(Cyclopentylidenemethyl)-3-(2-methoxyethyl)urea
CID 108913473
3-(Cyclopentylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108913648
3-[(E)-2-cyclopentylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108914021
1-(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914219
1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914394
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxyethyl)urea
CID 108914592
N-[(E)-2,3-dimethylbut-1-enyl]morpholine-4-carboxamide
CID 108914620
3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
CID 108914622

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea (CID 108915513) is 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)N/C=C(\C)C1CC1.
What is the InChIKey of 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is JXELCCPXEWVVAD-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(12-4-5-12)10-14-13(16)15(6-8-17-2)7-9-18-3/h10,12H,4-9H2,1-3H3,(H,14,16)/b11-10+.
What are the key properties of 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea?
3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 256.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108915513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).