N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

C18H19N3O6 — CID 90512234

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1
InChIInChI=1S/C18H19N3O6/c1-26-14-4-2-3-12(9-14)7-8-19-17(22)13-10-20(11-13)18(23)15-5-6-16(27-15)21(24)25/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,22)
InChIKeyHUOUXQUMKXXERO-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.63
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90512234) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
PubChem CID90512234
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1
InChIInChI=1S/C18H19N3O6/c1-26-14-4-2-3-12(9-14)7-8-19-17(22)13-10-20(11-13)18(23)15-5-6-16(27-15)21(24)25/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,22)
InChIKeyHUOUXQUMKXXERO-UHFFFAOYSA-N
XLogP1.63
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.63
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

1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
CID 90512311
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90511870
methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
CID 90512076
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512301
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (CID 90512234) is N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is COc1cccc(CCNC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is HUOUXQUMKXXERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-26-14-4-2-3-12(9-14)7-8-19-17(22)13-10-20(11-13)18(23)15-5-6-16(27-15)21(24)25/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).