N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

C31H33NO6 — CID 19446908

IUPACN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4c(C)cccc4C)o3)cc2)cc1OCC
InChIInChI=1S/C31H33NO6/c1-5-34-27-16-10-23(18-29(27)35-6-2)19-36-25-13-11-24(12-14-25)32-31(33)28-17-15-26(38-28)20-37-30-21(3)8-7-9-22(30)4/h7-18H,5-6,19-20H2,1-4H3,(H,32,33)
InChIKeyVLBNVEFDLFDOJE-UHFFFAOYSA-N
MW515.61 g/mol
LogP7.10
Rot. Bonds12

About N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19446908) has the molecular formula C31H33NO6 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19446908
Molecular FormulaC31H33NO6
Molecular Weight515.61 g/mol
Exact Mass515.23
IUPAC NameN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4c(C)cccc4C)o3)cc2)cc1OCC
InChIInChI=1S/C31H33NO6/c1-5-34-27-16-10-23(18-29(27)35-6-2)19-36-25-13-11-24(12-14-25)32-31(33)28-17-15-26(38-28)20-37-30-21(3)8-7-9-22(30)4/h7-18H,5-6,19-20H2,1-4H3,(H,32,33)
InChIKeyVLBNVEFDLFDOJE-UHFFFAOYSA-N
XLogP7.10
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207
5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide
CID 19415798
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457119
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
N-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19446908) is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4c(C)cccc4C)o3)cc2)cc1OCC.
What is the InChIKey of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is VLBNVEFDLFDOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO6/c1-5-34-27-16-10-23(18-29(27)35-6-2)19-36-25-13-11-24(12-14-25)32-31(33)28-17-15-26(38-28)20-37-30-21(3)8-7-9-22(30)4/h7-18H,5-6,19-20H2,1-4H3,(H,32,33).
What are the key properties of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 7.10, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).