N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide

C24H26N2O5 — CID 46408775

IUPACN-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
SMILESCC(OCCCNC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C24H26N2O5/c1-18(19-8-3-2-4-9-19)29-15-7-13-25-23(27)17-31-21-11-5-10-20(16-21)26-24(28)22-12-6-14-30-22/h2-6,8-12,14,16,18H,7,13,15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyWQRICNMHJIWFLQ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.19
Rot. Bonds11

About N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide

N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide (PubChem CID 46408775) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
PubChem CID46408775
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
SMILESCC(OCCCNC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C24H26N2O5/c1-18(19-8-3-2-4-9-19)29-15-7-13-25-23(27)17-31-21-11-5-10-20(16-21)26-24(28)22-12-6-14-30-22/h2-6,8-12,14,16,18H,7,13,15,17H2,1H3,(H,25,27)(H,26,28)
InChIKeyWQRICNMHJIWFLQ-UHFFFAOYSA-N
XLogP4.19
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[1-oxo-1-[3-(1-phenylethoxy)propylamino]propan-2-yl]furan-2-carboxamide
CID 46536778
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-oxo-2-[(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 51134943
N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46546691
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide (CID 46408775) is N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide is CC(OCCCNC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1.
What is the InChIKey of N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide?
The InChIKey is WQRICNMHJIWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-18(19-8-3-2-4-9-19)29-15-7-13-25-23(27)17-31-21-11-5-10-20(16-21)26-24(28)22-12-6-14-30-22/h2-6,8-12,14,16,18H,7,13,15,17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46408775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).