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

C12H24N2O3 — CID 108914394

IUPAC1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C12H24N2O3/c1-5-11(2)10-13-12(15)14(6-8-16-3)7-9-17-4/h10H,5-9H2,1-4H3,(H,13,15)/b11-10+
InChIKeyBKGPXLFCYJYIRX-ZHACJKMWSA-N
MW244.33 g/mol
LogP1.60
Rot. Bonds8

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

1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914394) 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)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914394
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C12H24N2O3/c1-5-11(2)10-13-12(15)14(6-8-16-3)7-9-17-4/h10H,5-9H2,1-4H3,(H,13,15)/b11-10+
InChIKeyBKGPXLFCYJYIRX-ZHACJKMWSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108915513
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108911465
ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate
CID 108914537
1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913275
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
(E)-N-ethyl-N-(2-methoxyethyl)but-2-en-2-amine
CID 138661036
2-hydrazinyl-N,N-bis(2-methoxyethyl)-2-oxoacetamide
CID 61418318
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
CID 108914323
4-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 76910282
4-O-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-O-methyl but-2-enedioate
CID 72529781

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea (CID 108914394) is 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea is CC/C(C)=C/NC(=O)N(CCOC)CCOC.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is BKGPXLFCYJYIRX-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-11(2)10-13-12(15)14(6-8-16-3)7-9-17-4/h10H,5-9H2,1-4H3,(H,13,15)/b11-10+.
What are the key properties of 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea?
1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 244.33 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 1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).