1-ethyl-3-(3-ethylhex-5-en-3-yl)urea

C11H22N2O — CID 170091318

IUPAC1-ethyl-3-(3-ethylhex-5-en-3-yl)urea
SMILESC=CCC(CC)(CC)NC(=O)NCC
InChIInChI=1S/C11H22N2O/c1-5-9-11(6-2,7-3)13-10(14)12-8-4/h5H,1,6-9H2,2-4H3,(H2,12,13,14)
InChIKeyISCKEMFBWJUFNY-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.44
Rot. Bonds6

About 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea

1-ethyl-3-(3-ethylhex-5-en-3-yl)urea (PubChem CID 170091318) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-ethylhex-5-en-3-yl)urea
PubChem CID170091318
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-ethyl-3-(3-ethylhex-5-en-3-yl)urea
SMILESC=CCC(CC)(CC)NC(=O)NCC
InChIInChI=1S/C11H22N2O/c1-5-9-11(6-2,7-3)13-10(14)12-8-4/h5H,1,6-9H2,2-4H3,(H2,12,13,14)
InChIKeyISCKEMFBWJUFNY-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-butyl-3-(3-ethylpentan-3-yl)urea
CID 115660913
1,3-bis(ethylcarbamoyl)urea
CID 134915369
1,3-diethylurea;ethane
CID 142885504
4-(3-ethylpentan-3-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003041
ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
CID 65043048
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 111430125
1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 115674453
1-ethyl-3-(2-ethyl-2-methylsulfanylbutyl)urea
CID 103708307
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
CID 173326551
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea?
The IUPAC name of 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea (CID 170091318) is 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea is C=CCC(CC)(CC)NC(=O)NCC.
What is the InChIKey of 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea?
The InChIKey is ISCKEMFBWJUFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9-11(6-2,7-3)13-10(14)12-8-4/h5H,1,6-9H2,2-4H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea?
1-ethyl-3-(3-ethylhex-5-en-3-yl)urea has a molecular weight of 198.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethylhex-5-en-3-yl)urea is sourced from PubChem (CID 170091318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).