1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea

C14H16N2O3 — CID 162459040

IUPAC1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOc1ccc(N(Cc2ccc(C)o2)C(N)=O)cc1
InChIInChI=1S/C14H16N2O3/c1-10-3-6-13(19-10)9-16(14(15)17)11-4-7-12(18-2)8-5-11/h3-8H,9H2,1-2H3,(H2,15,17)
InChIKeyJHBGAQFCSGDUGC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea

1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 162459040) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID162459040
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOc1ccc(N(Cc2ccc(C)o2)C(N)=O)cc1
InChIInChI=1S/C14H16N2O3/c1-10-3-6-13(19-10)9-16(14(15)17)11-4-7-12(18-2)8-5-11/h3-8H,9H2,1-2H3,(H2,15,17)
InChIKeyJHBGAQFCSGDUGC-UHFFFAOYSA-N
XLogP2.68
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea (CID 162459040) is 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea is COc1ccc(N(Cc2ccc(C)o2)C(N)=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is JHBGAQFCSGDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-3-6-13(19-10)9-16(14(15)17)11-4-7-12(18-2)8-5-11/h3-8H,9H2,1-2H3,(H2,15,17).
What are the key properties of 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea?
1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 260.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 162459040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).