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

C22H26N6O4 — CID 4851124

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H26N6O4/c1-3-31-20-14-19(27-9-11-30-12-10-27)21(32-4-2)13-18(20)24-22(29)16-5-7-17(8-6-16)28-15-23-25-26-28/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,24,29)
InChIKeyNZOMWKMMVJYBNV-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.55
Rot. Bonds8

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 4851124) 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)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide
PubChem CID4851124
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C22H26N6O4/c1-3-31-20-14-19(27-9-11-30-12-10-27)21(32-4-2)13-18(20)24-22(29)16-5-7-17(8-6-16)28-15-23-25-26-28/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,24,29)
InChIKeyNZOMWKMMVJYBNV-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'}

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(piperidine-1-carbonyl)-phenyl]-acetamide
CID 646039
4-{5-[2-(4-morpholinylcarbonyl)phenoxy]-1H-tetrazol-1-yl}benzamide
CID 1251073
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571257
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
Methyl 4-{2-[3-(1H-1,2,3,4-tetrazol-1-YL)phenoxy]acetamido}benzoate
CID 11405500
N-(5-Acetyl-2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 118633152
4-[[2-[4-(Tetrazol-1-yl)phenoxy]acetyl]amino]benzamide
CID 4844830

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide (CID 4851124) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is NZOMWKMMVJYBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-3-31-20-14-19(27-9-11-30-12-10-27)21(32-4-2)13-18(20)24-22(29)16-5-7-17(8-6-16)28-15-23-25-26-28/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,24,29).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(tetrazol-1-yl)benzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(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)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4851124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).