5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

C15H16N2O5 — CID 19446371

IUPAC5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O5/c1-10(2)16-15(18)14-8-7-11(22-14)9-21-13-6-4-3-5-12(13)17(19)20/h3-8,10H,9H2,1-2H3,(H,16,18)
InChIKeySLRGTYXBSYZKMX-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.90
Rot. Bonds6

About 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 19446371) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID19446371
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O5/c1-10(2)16-15(18)14-8-7-11(22-14)9-21-13-6-4-3-5-12(13)17(19)20/h3-8,10H,9H2,1-2H3,(H,16,18)
InChIKeySLRGTYXBSYZKMX-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446361
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 98422492
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298
N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5243847
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19461245
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19461875
N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346038
1-methyl-N-(2-methylpropyl)-4-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 17024108
N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446358
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19285025

Frequently Asked Questions

What is the IUPAC name of 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 19446371) is 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is SLRGTYXBSYZKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-10(2)16-15(18)14-8-7-11(22-14)9-21-13-6-4-3-5-12(13)17(19)20/h3-8,10H,9H2,1-2H3,(H,16,18).
What are the key properties of 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 19446371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).