1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea

C18H24N4O2 — CID 52541821

IUPAC1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
SMILESCCN1CCN(c2ccccc2NC(=O)NCc2ccco2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-21-9-11-22(12-10-21)17-8-4-3-7-16(17)20-18(23)19-14-15-6-5-13-24-15/h3-8,13H,2,9-12,14H2,1H3,(H2,19,20,23)
InChIKeyLAUALMWVJFHJIB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea (PubChem CID 52541821) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
PubChem CID52541821
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
SMILESCCN1CCN(c2ccccc2NC(=O)NCc2ccco2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-21-9-11-22(12-10-21)17-8-4-3-7-16(17)20-18(23)19-14-15-6-5-13-24-15/h3-8,13H,2,9-12,14H2,1H3,(H2,19,20,23)
InChIKeyLAUALMWVJFHJIB-UHFFFAOYSA-N
XLogP2.74
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea (CID 52541821) is 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea is CCN1CCN(c2ccccc2NC(=O)NCc2ccco2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is LAUALMWVJFHJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-21-9-11-22(12-10-21)17-8-4-3-7-16(17)20-18(23)19-14-15-6-5-13-24-15/h3-8,13H,2,9-12,14H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea?
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 52541821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).