N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

C15H21N3O7 — CID 90511996

IUPACN,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C15H21N3O7/c1-23-7-5-16(6-8-24-2)14(19)11-9-17(10-11)15(20)12-3-4-13(25-12)18(21)22/h3-4,11H,5-10H2,1-2H3
InChIKeyRSDZLYGCSPPJPF-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.38
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511996) has the molecular formula C15H21N3O7 and a molecular weight of 355.35 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511996
Molecular FormulaC15H21N3O7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC NameN,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C15H21N3O7/c1-23-7-5-16(6-8-24-2)14(19)11-9-17(10-11)15(20)12-3-4-13(25-12)18(21)22/h3-4,11H,5-10H2,1-2H3
InChIKeyRSDZLYGCSPPJPF-UHFFFAOYSA-N
XLogP0.38
TPSA115.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.38
H-Bond Donors ≤ 50
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

N-butyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512000
N-benzyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512004
N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512006
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 115902264
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 113468312
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
(2-methylpiperidin-1-yl)-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90512014
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511974
1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
CID 90512311

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (CID 90511996) is N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is COCCN(CCOC)C(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is RSDZLYGCSPPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O7/c1-23-7-5-16(6-8-24-2)14(19)11-9-17(10-11)15(20)12-3-4-13(25-12)18(21)22/h3-4,11H,5-10H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 0.38, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).