N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide

C26H22N2O4 — CID 46686822

IUPACN-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H22N2O4/c1-18(32-23-15-9-20(10-16-23)19-6-3-2-4-7-19)25(29)27-21-11-13-22(14-12-21)28-26(30)24-8-5-17-31-24/h2-18H,1H3,(H,27,29)(H,28,30)
InChIKeyFGERWJUMOQBLTJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.60
Rot. Bonds7

About N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide

N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide (PubChem CID 46686822) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
PubChem CID46686822
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H22N2O4/c1-18(32-23-15-9-20(10-16-23)19-6-3-2-4-7-19)25(29)27-21-11-13-22(14-12-21)28-26(30)24-8-5-17-31-24/h2-18H,1H3,(H,27,29)(H,28,30)
InChIKeyFGERWJUMOQBLTJ-UHFFFAOYSA-N
XLogP5.60
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-[2-(2-phenoxypropanoylamino)phenyl]furan-2-carboxamide
CID 2993584
N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide
CID 41324439
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(4-phenylphenoxy)propanamide
CID 43915059

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide (CID 46686822) is N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is FGERWJUMOQBLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-18(32-23-15-9-20(10-16-23)19-6-3-2-4-7-19)25(29)27-21-11-13-22(14-12-21)28-26(30)24-8-5-17-31-24/h2-18H,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide?
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46686822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).