N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide

C17H24N6O4 — CID 2477122

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C17H24N6O4/c1-3-26-15-10-14(22-5-7-25-8-6-22)16(27-4-2)9-13(15)19-17(24)11-23-12-18-20-21-23/h9-10,12H,3-8,11H2,1-2H3,(H,19,24)
InChIKeyPCMQTKKKJWPQDX-UHFFFAOYSA-N
MW376.42 g/mol
LogP0.95
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 2477122) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID2477122
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C17H24N6O4/c1-3-26-15-10-14(22-5-7-25-8-6-22)16(27-4-2)9-13(15)19-17(24)11-23-12-18-20-21-23/h9-10,12H,3-8,11H2,1-2H3,(H,19,24)
InChIKeyPCMQTKKKJWPQDX-UHFFFAOYSA-N
XLogP0.95
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.95
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-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide (CID 2477122) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is PCMQTKKKJWPQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-3-26-15-10-14(22-5-7-25-8-6-22)16(27-4-2)9-13(15)19-17(24)11-23-12-18-20-21-23/h9-10,12H,3-8,11H2,1-2H3,(H,19,24).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 0.95, 8 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-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2477122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).