N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide

C22H22N2O5 — CID 42014719

IUPACN-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCOc1cc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1
InChIInChI=1S/C22H22N2O5/c1-27-18-12-15(13-19(14-18)28-2)5-10-21(25)23-16-6-8-17(9-7-16)24-22(26)20-4-3-11-29-20/h3-4,6-9,11-14H,5,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLFBKCEINOYYXFE-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.12
Rot. Bonds8

About N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide

N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide (PubChem CID 42014719) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
PubChem CID42014719
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCOc1cc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1
InChIInChI=1S/C22H22N2O5/c1-27-18-12-15(13-19(14-18)28-2)5-10-21(25)23-16-6-8-17(9-7-16)24-22(26)20-4-3-11-29-20/h3-4,6-9,11-14H,5,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLFBKCEINOYYXFE-UHFFFAOYSA-N
XLogP4.12
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 24618608
N-[4-[(3,5-dimethoxyphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57305477
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
CID 30907632
N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17233679
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide (CID 42014719) is N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide is COc1cc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1.
What is the InChIKey of N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is LFBKCEINOYYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-18-12-15(13-19(14-18)28-2)5-10-21(25)23-16-6-8-17(9-7-16)24-22(26)20-4-3-11-29-20/h3-4,6-9,11-14H,5,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide?
N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42014719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).