N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

C24H31N3O5 — CID 5243847

IUPACN-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C24H31N3O5/c28-24(26-25-19-12-8-6-4-2-1-3-5-7-9-13-19)23-17-16-20(32-23)18-31-22-15-11-10-14-21(22)27(29)30/h10-11,14-17H,1-9,12-13,18H2,(H,26,28)
InChIKeyFVOXBCQAVSOGKP-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.16
Rot. Bonds6

About N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 5243847) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID5243847
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C24H31N3O5/c28-24(26-25-19-12-8-6-4-2-1-3-5-7-9-13-19)23-17-16-20(32-23)18-31-22-15-11-10-14-21(22)27(29)30/h10-11,14-17H,1-9,12-13,18H2,(H,26,28)
InChIKeyFVOXBCQAVSOGKP-UHFFFAOYSA-N
XLogP6.16
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
N-(1,3-dimethylpyrazol-4-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19346038
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 98422492
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446361
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19285025
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19400656
5-[(2-nitrophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19446306

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (CID 5243847) is N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is O=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is FVOXBCQAVSOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c28-24(26-25-19-12-8-6-4-2-1-3-5-7-9-13-19)23-17-16-20(32-23)18-31-22-15-11-10-14-21(22)27(29)30/h10-11,14-17H,1-9,12-13,18H2,(H,26,28).
What are the key properties of N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 5243847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).