N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide

C12H15N3O4 — CID 104783836

IUPACN-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CNC1
InChIInChI=1S/C12H15N3O4/c1-14(9-6-13-7-9)12(16)10-4-3-8(15(17)18)5-11(10)19-2/h3-5,9,13H,6-7H2,1-2H3
InChIKeyDDHHHIPBHHMGBV-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.65
Rot. Bonds4

About N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide

N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide (PubChem CID 104783836) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide
PubChem CID104783836
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CNC1
InChIInChI=1S/C12H15N3O4/c1-14(9-6-13-7-9)12(16)10-4-3-8(15(17)18)5-11(10)19-2/h3-5,9,13H,6-7H2,1-2H3
InChIKeyDDHHHIPBHHMGBV-UHFFFAOYSA-N
XLogP0.65
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.65
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'}

Analyze N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
N-(azetidin-3-yl)-N-methyl-4-nitrobenzamide
CID 66185464
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 66185246
2-methoxy-4-nitrobenzoate
CID 6995516
N-(2-amino-1-cyclopropylethyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 116651849
N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783706
N-(3-aminopropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783869
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
N-(2-cyanoethyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783369
N-(2-bromopropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 113452723
2-bromo-N-methyl-4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442882
N-(azetidin-3-yl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 66184997

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide?
The IUPAC name of N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide (CID 104783836) is N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide is COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide?
The InChIKey is DDHHHIPBHHMGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-14(9-6-13-7-9)12(16)10-4-3-8(15(17)18)5-11(10)19-2/h3-5,9,13H,6-7H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide?
N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide has a molecular weight of 265.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-methoxy-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 104783836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).