1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea

C14H20N2O4 — CID 118792462

IUPAC1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea
SMILESCOc1cccc(C)c1NC(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O4/c1-10-4-3-5-12(18-2)13(10)16-14(17)15-8-11-9-19-6-7-20-11/h3-5,11H,6-9H2,1-2H3,(H2,15,16,17)
InChIKeyJUMGRDLFLYKQAR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.54
Rot. Bonds4

About 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea

1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea (PubChem CID 118792462) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea
PubChem CID118792462
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea
SMILESCOc1cccc(C)c1NC(=O)NCC1COCCO1
InChIInChI=1S/C14H20N2O4/c1-10-4-3-5-12(18-2)13(10)16-14(17)15-8-11-9-19-6-7-20-11/h3-5,11H,6-9H2,1-2H3,(H2,15,16,17)
InChIKeyJUMGRDLFLYKQAR-UHFFFAOYSA-N
XLogP1.54
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea (CID 118792462) is 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea is COc1cccc(C)c1NC(=O)NCC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea?
The InChIKey is JUMGRDLFLYKQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-4-3-5-12(18-2)13(10)16-14(17)15-8-11-9-19-6-7-20-11/h3-5,11H,6-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea?
1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea has a molecular weight of 280.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-3-(2-methoxy-6-methylphenyl)urea is sourced from PubChem (CID 118792462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).