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

C21H22N6O4 — CID 1440048

IUPAC2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N6O4/c1-30-18-5-3-2-4-17(18)21(29)22-16-8-6-15(7-9-16)20-23-25-27(24-20)14-19(28)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,22,29)
InChIKeyWWOUPXXLUZPGJM-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.46
Rot. Bonds6

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

2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 1440048) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID1440048
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N6O4/c1-30-18-5-3-2-4-17(18)21(29)22-16-8-6-15(7-9-16)20-23-25-27(24-20)14-19(28)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,22,29)
InChIKeyWWOUPXXLUZPGJM-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 2-methoxy-N-[4-[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

Related Compounds

CID 57663405
CID 57663405
CID 645014
CID 645014
CID 1128375
CID 1128375
CID 1440110
CID 1440110
CID 1440115
CID 1440115
CID 1452551
CID 1452551
CID 1452563
CID 1452563
CID 653044
CID 653044
CID 1440183
CID 1440183
CID 1136683
CID 1136683
CID 1452565
CID 1452565
CID 1157286
CID 1157286

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide (CID 1440048) is 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is WWOUPXXLUZPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-30-18-5-3-2-4-17(18)21(29)22-16-8-6-15(7-9-16)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 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
2-methoxy-N-[4-[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 2-methoxy-N-[4-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 1440048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).