N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride

C20H27ClN4O4 — CID 119392955

IUPACN-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCCN1CCNCC1
InChIInChI=1S/C20H26N4O4.ClH/c25-19(22-7-3-10-24-11-8-21-9-12-24)15-28-17-5-1-4-16(14-17)23-20(26)18-6-2-13-27-18;/h1-2,4-6,13-14,21H,3,7-12,15H2,(H,22,25)(H,23,26);1H
InChIKeyDXUMAFUYGPPSMW-UHFFFAOYSA-N
MW422.91 g/mol
LogP1.74
Rot. Bonds9

About N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride

N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119392955) has the molecular formula C20H27ClN4O4 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119392955
Molecular FormulaC20H27ClN4O4
Molecular Weight422.91 g/mol
Exact Mass422.17
IUPAC NameN-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCCN1CCNCC1
InChIInChI=1S/C20H26N4O4.ClH/c25-19(22-7-3-10-24-11-8-21-9-12-24)15-28-17-5-1-4-16(14-17)23-20(26)18-6-2-13-27-18;/h1-2,4-6,13-14,21H,3,7-12,15H2,(H,22,25)(H,23,26);1H
InChIKeyDXUMAFUYGPPSMW-UHFFFAOYSA-N
XLogP1.74
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210
N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119462625
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119394347
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46408775
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride (CID 119392955) is N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride is Cl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCCN1CCNCC1.
What is the InChIKey of N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is DXUMAFUYGPPSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4.ClH/c25-19(22-7-3-10-24-11-8-21-9-12-24)15-28-17-5-1-4-16(14-17)23-20(26)18-6-2-13-27-18;/h1-2,4-6,13-14,21H,3,7-12,15H2,(H,22,25)(H,23,26);1H.
What are the key properties of N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 422.91 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119392955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).