N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide

C15H16N2O5 — CID 19461733

IUPACN-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1
InChIInChI=1S/C15H16N2O5/c1-3-16-15(18)14-7-5-12(22-14)9-21-11-4-6-13(17(19)20)10(2)8-11/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyOUTQWIRXFQKPCS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.82
Rot. Bonds6

About N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide

N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19461733) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19461733
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1
InChIInChI=1S/C15H16N2O5/c1-3-16-15(18)14-7-5-12(22-14)9-21-11-4-6-13(17(19)20)10(2)8-11/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyOUTQWIRXFQKPCS-UHFFFAOYSA-N
XLogP2.82
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(diethylamino)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461738
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 7015957
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19294335
5-[(3-methyl-4-nitrophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19332346
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19332951
5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
N-(1,3-dimethylpyrazol-4-yl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346174
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19415067
5-[(3,4-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)furan-2-carboxamide
CID 19450848
methyl 1-methyl-4-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342224
5-[(3-methyl-4-nitrophenoxy)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19295736
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19410045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide (CID 19461733) is N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide is CCNC(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1.
What is the InChIKey of N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is OUTQWIRXFQKPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-3-16-15(18)14-7-5-12(22-14)9-21-11-4-6-13(17(19)20)10(2)8-11/h4-8H,3,9H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide?
N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19461733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).