N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide

C20H24N2O4 — CID 91814615

IUPACN-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(N3CC(OC)C3)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-11-12-26-18-9-3-15(4-10-18)20(23)21-16-5-7-17(8-6-16)22-13-19(14-22)25-2/h3-10,19H,11-14H2,1-2H3,(H,21,23)
InChIKeyIYHDMCGCTYWTBG-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.80
Rot. Bonds8

About N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide

N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide (PubChem CID 91814615) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
PubChem CID91814615
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccc(N3CC(OC)C3)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-11-12-26-18-9-3-15(4-10-18)20(23)21-16-5-7-17(8-6-16)22-13-19(14-22)25-2/h3-10,19H,11-14H2,1-2H3,(H,21,23)
InChIKeyIYHDMCGCTYWTBG-UHFFFAOYSA-N
XLogP2.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide (CID 91814615) is N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2ccc(N3CC(OC)C3)cc2)cc1.
What is the InChIKey of N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide?
The InChIKey is IYHDMCGCTYWTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-11-12-26-18-9-3-15(4-10-18)20(23)21-16-5-7-17(8-6-16)22-13-19(14-22)25-2/h3-10,19H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide?
N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 91814615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).