N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide

C22H26N6O4 — CID 4964340

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C22H26N6O4/c1-3-31-20-14-19(27-8-10-30-11-9-27)21(32-4-2)13-18(20)24-22(29)16-6-5-7-17(12-16)28-15-23-25-26-28/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,24,29)
InChIKeyGFDNZSVPDPPYHD-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.55
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 4964340) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID4964340
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C22H26N6O4/c1-3-31-20-14-19(27-8-10-30-11-9-27)21(32-4-2)13-18(20)24-22(29)16-6-5-7-17(12-16)28-15-23-25-26-28/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,24,29)
InChIKeyGFDNZSVPDPPYHD-UHFFFAOYSA-N
XLogP2.55
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)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 N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide (CID 4964340) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is GFDNZSVPDPPYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-3-31-20-14-19(27-8-10-30-11-9-27)21(32-4-2)13-18(20)24-22(29)16-6-5-7-17(12-16)28-15-23-25-26-28/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,24,29).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 438.49 g/mol, XLogP of 2.55, 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)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4964340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).