N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

C22H22N2O7 — CID 19413316

IUPACN-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C22H22N2O7/c1-3-28-15-5-7-16(8-6-15)30-14-18-10-12-21(31-18)22(25)23-19-11-9-17(29-4-2)13-20(19)24(26)27/h5-13H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyMNQNOAMFXZSZNJ-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.82
Rot. Bonds10

About N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide

N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19413316) has the molecular formula C22H22N2O7 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19413316
Molecular FormulaC22H22N2O7
Molecular Weight426.43 g/mol
Exact Mass426.14
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C22H22N2O7/c1-3-28-15-5-7-16(8-6-15)30-14-18-10-12-21(31-18)22(25)23-19-11-9-17(29-4-2)13-20(19)24(26)27/h5-13H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyMNQNOAMFXZSZNJ-UHFFFAOYSA-N
XLogP4.82
TPSA113.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(3,4-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)furan-2-carboxamide
CID 19450848
N-(4-ethoxy-2-nitrophenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457263
5-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19446107
5-[(4-ethoxyphenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19413374
N-(4-ethoxy-2-nitrophenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448807
5-[(4-acetylphenoxy)methyl]-N-(4-chloro-2-nitrophenyl)furan-2-carboxamide
CID 19455225
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 19463925
5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19412725
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461733
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (CID 19413316) is N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is MNQNOAMFXZSZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7/c1-3-28-15-5-7-16(8-6-15)30-14-18-10-12-21(31-18)22(25)23-19-11-9-17(29-4-2)13-20(19)24(26)27/h5-13H,3-4,14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19413316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).