1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea

C18H24N2O3 — CID 87000120

IUPAC1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-5-8-16(9-6-13)22-12-11-20(4)18(21)19-15(3)17-10-7-14(2)23-17/h5-10,15H,11-12H2,1-4H3,(H,19,21)
InChIKeyGPLSCUKEWDJTSO-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.68
Rot. Bonds6

About 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea

1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea (PubChem CID 87000120) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea
PubChem CID87000120
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-5-8-16(9-6-13)22-12-11-20(4)18(21)19-15(3)17-10-7-14(2)23-17/h5-10,15H,11-12H2,1-4H3,(H,19,21)
InChIKeyGPLSCUKEWDJTSO-UHFFFAOYSA-N
XLogP3.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea (CID 87000120) is 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea is Cc1ccc(OCCN(C)C(=O)NC(C)c2ccc(C)o2)cc1.
What is the InChIKey of 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea?
The InChIKey is GPLSCUKEWDJTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-5-8-16(9-6-13)22-12-11-20(4)18(21)19-15(3)17-10-7-14(2)23-17/h5-10,15H,11-12H2,1-4H3,(H,19,21).
What are the key properties of 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea?
1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea has a molecular weight of 316.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 87000120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).