N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide

C22H22N2O4 — CID 32708292

IUPACN-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCCOc1ccccc1CCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H22N2O4/c1-2-27-19-10-4-3-7-16(19)12-13-21(25)23-17-8-5-9-18(15-17)24-22(26)20-11-6-14-28-20/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyNQTQDXDRXFLTMQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.50
Rot. Bonds8

About N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide

N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide (PubChem CID 32708292) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
PubChem CID32708292
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCCOc1ccccc1CCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H22N2O4/c1-2-27-19-10-4-3-7-16(19)12-13-21(25)23-17-8-5-9-18(15-17)24-22(26)20-11-6-14-28-20/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyNQTQDXDRXFLTMQ-UHFFFAOYSA-N
XLogP4.50
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
CID 39228981
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
3-(2-ethoxyphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
CID 86961736
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
2-[3-(2-ethoxyphenyl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55380656
2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
CID 26169071
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-[3-[2-[2-(ethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86821930
N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
N-[3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843723

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide (CID 32708292) is N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide is CCOc1ccccc1CCC(=O)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is NQTQDXDRXFLTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-27-19-10-4-3-7-16(19)12-13-21(25)23-17-8-5-9-18(15-17)24-22(26)20-11-6-14-28-20/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 32708292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).