[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate

C25H28N4O4 — CID 155535169

IUPAC[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
SMILESCc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)o1
InChIInChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
InChIKeyIPVZGUMYDUWBRS-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.26
Rot. Bonds7

About [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate

[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate (PubChem CID 155535169) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
PubChem CID155535169
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
SMILESCc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)o1
InChIInChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31)
InChIKeyIPVZGUMYDUWBRS-UHFFFAOYSA-N
XLogP3.26
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate (CID 155535169) is [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate is Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)o1.
What is the InChIKey of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is IPVZGUMYDUWBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-18-16-22(24(26)30)23(32-18)19-6-5-9-21(17-19)33-25(31)27-10-11-28-12-14-29(15-13-28)20-7-3-2-4-8-20/h2-9,16-17H,10-15H2,1H3,(H2,26,30)(H,27,31).
What are the key properties of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 448.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 155535169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).