N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C24H30N6O4 — CID 4968363

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C24H30N6O4/c1-4-33-21-15-20(29-10-12-32-13-11-29)22(34-5-2)14-19(21)25-23(31)16-30-27-24(26-28-30)18-9-7-6-8-17(18)3/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,31)
InChIKeyMRNLXPTVYSYSBS-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.92
Rot. Bonds9

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 4968363) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID4968363
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nnc(-c2ccccc2C)n1
InChIInChI=1S/C24H30N6O4/c1-4-33-21-15-20(29-10-12-32-13-11-29)22(34-5-2)14-19(21)25-23(31)16-30-27-24(26-28-30)18-9-7-6-8-17(18)3/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,31)
InChIKeyMRNLXPTVYSYSBS-UHFFFAOYSA-N
XLogP2.92
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 4968363) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nnc(-c2ccccc2C)n1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is MRNLXPTVYSYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-4-33-21-15-20(29-10-12-32-13-11-29)22(34-5-2)14-19(21)25-23(31)16-30-27-24(26-28-30)18-9-7-6-8-17(18)3/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,31).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 466.54 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 4968363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).