N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide

C28H26N2O6 — CID 19454532

IUPACN-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)Nc3cc(Oc4cccc(C)c4)cc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C28H26N2O6/c1-3-5-20-8-10-23(11-9-20)34-18-25-12-13-27(36-25)28(31)29-21-15-22(30(32)33)17-26(16-21)35-24-7-4-6-19(2)14-24/h4,6-17H,3,5,18H2,1-2H3,(H,29,31)
InChIKeyLUEXSSYGNTYKFK-UHFFFAOYSA-N
MW486.52 g/mol
LogP7.07
Rot. Bonds10

About N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide

N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19454532) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
PubChem CID19454532
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC NameN-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)Nc3cc(Oc4cccc(C)c4)cc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C28H26N2O6/c1-3-5-20-8-10-23(11-9-20)34-18-25-12-13-27(36-25)28(31)29-21-15-22(30(32)33)17-26(16-21)35-24-7-4-6-19(2)14-24/h4,6-17H,3,5,18H2,1-2H3,(H,29,31)
InChIKeyLUEXSSYGNTYKFK-UHFFFAOYSA-N
XLogP7.07
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-ethylphenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446659
5-[(2,6-dimethylphenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446875
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446657
5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19464007
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19458930
5-[(4-acetylphenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19455278
5-[(2-chloro-6-methylphenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19459315
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19461888
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446177
5-[(4-chloro-3-methylphenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19417043
5-[(4-nitrophenoxy)methyl]-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan-2-carboxamide
CID 19465527
5-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19458705

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (CID 19454532) is N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)Nc3cc(Oc4cccc(C)c4)cc([N+](=O)[O-])c3)o2)cc1.
What is the InChIKey of N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is LUEXSSYGNTYKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-3-5-20-8-10-23(11-9-20)34-18-25-12-13-27(36-25)28(31)29-21-15-22(30(32)33)17-26(16-21)35-24-7-4-6-19(2)14-24/h4,6-17H,3,5,18H2,1-2H3,(H,29,31).
What are the key properties of N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 7.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).