4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide

C21H22N6O4 — CID 1440183

IUPAC4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N6O4/c1-30-16-8-6-15(7-9-16)21(29)22-18-5-3-2-4-17(18)20-23-25-27(24-20)14-19(28)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,22,29)
InChIKeyXUDRKKNJBQJMEG-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.46
Rot. Bonds6

About 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide

4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 1440183) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID1440183
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N6O4/c1-30-16-8-6-15(7-9-16)21(29)22-18-5-3-2-4-17(18)20-23-25-27(24-20)14-19(28)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,22,29)
InChIKeyXUDRKKNJBQJMEG-UHFFFAOYSA-N
XLogP1.46
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide (CID 1440183) is 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is XUDRKKNJBQJMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-30-16-8-6-15(7-9-16)21(29)22-18-5-3-2-4-17(18)20-23-25-27(24-20)14-19(28)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,22,29).
What are the key properties of 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide has a molecular weight of 422.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 1440183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).