3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea

C13H20N2O3 — CID 91914987

IUPAC3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O3/c1-15(10-11-4-7-17-8-5-11)13(16)14-9-12-3-2-6-18-12/h2-3,6,11H,4-5,7-10H2,1H3,(H,14,16)
InChIKeyDVGXPHZRROBNAY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.85
Rot. Bonds4

About 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea

3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea (PubChem CID 91914987) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea
PubChem CID91914987
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NCc1ccco1
InChIInChI=1S/C13H20N2O3/c1-15(10-11-4-7-17-8-5-11)13(16)14-9-12-3-2-6-18-12/h2-3,6,11H,4-5,7-10H2,1H3,(H,14,16)
InChIKeyDVGXPHZRROBNAY-UHFFFAOYSA-N
XLogP1.85
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-(((Furan-2-yl)methyl)amino)-1,2-dihydropyrimidin-2-one
CID 666825
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
[(Furan-2-yl)methyl]urea
CID 587724
N-Methylfurfurylamine
CID 78492
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
1,5-Bis(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 951189
N1-(2-Furylmethyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 2725444
(5E)-1-(furan-2-ylmethyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1918388

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea (CID 91914987) is 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea is CN(CC1CCOCC1)C(=O)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is DVGXPHZRROBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(10-11-4-7-17-8-5-11)13(16)14-9-12-3-2-6-18-12/h2-3,6,11H,4-5,7-10H2,1H3,(H,14,16).
What are the key properties of 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 252.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1-methyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 91914987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).