1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea

C14H24N2O3 — CID 86999017

IUPAC1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCCC(C)C
InChIInChI=1S/C14H24N2O3/c1-12(2)6-7-15-14(17)16(8-10-18-3)11-13-5-4-9-19-13/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,15,17)
InChIKeyBHWYLYQQAIRDEE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.48
Rot. Bonds8

About 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea

1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea (PubChem CID 86999017) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
PubChem CID86999017
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCCC(C)C
InChIInChI=1S/C14H24N2O3/c1-12(2)6-7-15-14(17)16(8-10-18-3)11-13-5-4-9-19-13/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,15,17)
InChIKeyBHWYLYQQAIRDEE-UHFFFAOYSA-N
XLogP2.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87008094
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
4-(carbamoylamino)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32993957
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873434
3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86793421
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea
CID 78888450
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509
3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86943873

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea (CID 86999017) is 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea is COCCN(Cc1ccco1)C(=O)NCCC(C)C.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea?
The InChIKey is BHWYLYQQAIRDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-12(2)6-7-15-14(17)16(8-10-18-3)11-13-5-4-9-19-13/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,15,17).
What are the key properties of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea?
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea has a molecular weight of 268.36 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 86999017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).