N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide

C22H22N2O5 — CID 26169191

IUPACN-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H22N2O5/c1-2-27-13-14-28-19-10-8-16(9-11-19)21(25)23-17-5-3-6-18(15-17)24-22(26)20-7-4-12-29-20/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMBEFXDIMCAXTHF-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.20
Rot. Bonds9

About N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide

N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 26169191) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
PubChem CID26169191
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H22N2O5/c1-2-27-13-14-28-19-10-8-16(9-11-19)21(25)23-17-5-3-6-18(15-17)24-22(26)20-7-4-12-29-20/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMBEFXDIMCAXTHF-UHFFFAOYSA-N
XLogP4.20
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 26169355
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 28638954
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-[(3-benzamidophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17235202
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-[3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843723
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide (CID 26169191) is N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide is CCOCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is MBEFXDIMCAXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-27-13-14-28-19-10-8-16(9-11-19)21(25)23-17-5-3-6-18(15-17)24-22(26)20-7-4-12-29-20/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 26169191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).