1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

C18H28N2O2 — CID 108903996

IUPAC1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCCCN(CCCC)C(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C18H28N2O2/c1-4-6-14-20(15-7-5-2)18(21)19-13-12-16-10-8-9-11-17(16)22-3/h8-13H,4-7,14-15H2,1-3H3,(H,19,21)/b13-12+
InChIKeyGDQWYNFJGWZFMS-OUKQBFOZSA-N
MW304.43 g/mol
LogP4.28
Rot. Bonds9

About 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea

1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108903996) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108903996
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCCCN(CCCC)C(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C18H28N2O2/c1-4-6-14-20(15-7-5-2)18(21)19-13-12-16-10-8-9-11-17(16)22-3/h8-13H,4-7,14-15H2,1-3H3,(H,19,21)/b13-12+
InChIKeyGDQWYNFJGWZFMS-OUKQBFOZSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010
(E)-1-(2-methoxyphenyl)hept-1-en-3-one
CID 132991130
(E)-1-(2-methoxyphenyl)oct-1-en-3-one
CID 135037607
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
(Z)-1-(2-methoxyphenyl)non-1-en-3-one
CID 92528941
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152
4-(2-hydroxyethyl)-N-[(E)-2-(2-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108903982
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108903974
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108903996) is 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is CCCCN(CCCC)C(=O)N/C=C/c1ccccc1OC.
What is the InChIKey of 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is GDQWYNFJGWZFMS-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-6-14-20(15-7-5-2)18(21)19-13-12-16-10-8-9-11-17(16)22-3/h8-13H,4-7,14-15H2,1-3H3,(H,19,21)/b13-12+.
What are the key properties of 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea has a molecular weight of 304.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108903996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).