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N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide

C25H28N4O4 — CID 134214502

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1cc(C(=O)c2cccc(NC(C)=O)c2)co1
InChIInChI=1S/C25H28N4O4/c1-17(30)26-20-6-4-5-18(13-20)25(31)19-14-24(33-16-19)27-22-8-7-21(15-23(22)32-3)29-11-9-28(2)10-12-29/h4-8,13-16,27H,9-12H2,1-3H3,(H,26,30)
InChIKeyZBYCAPRSWDCGKH-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.97
Rot. Bonds7

About N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide

N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide (PubChem CID 134214502) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide
PubChem CID134214502
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1cc(C(=O)c2cccc(NC(C)=O)c2)co1
InChIInChI=1S/C25H28N4O4/c1-17(30)26-20-6-4-5-18(13-20)25(31)19-14-24(33-16-19)27-22-8-7-21(15-23(22)32-3)29-11-9-28(2)10-12-29/h4-8,13-16,27H,9-12H2,1-3H3,(H,26,30)
InChIKeyZBYCAPRSWDCGKH-UHFFFAOYSA-N
XLogP3.97
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide (CID 134214502) is N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide is COc1cc(N2CCN(C)CC2)ccc1Nc1cc(C(=O)c2cccc(NC(C)=O)c2)co1.
What is the InChIKey of N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide?
The InChIKey is ZBYCAPRSWDCGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17(30)26-20-6-4-5-18(13-20)25(31)19-14-24(33-16-19)27-22-8-7-21(15-23(22)32-3)29-11-9-28(2)10-12-29/h4-8,13-16,27H,9-12H2,1-3H3,(H,26,30).
What are the key properties of N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide?
N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]furan-3-carbonyl]phenyl]acetamide is sourced from PubChem (CID 134214502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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