N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide

C22H25N5O3 — CID 58502492

IUPACN-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Oc2ccccc2)c1=O)C1CCCCC1
InChIInChI=1S/C22H25N5O3/c1-2-25(17-11-5-3-6-12-17)21(28)27-22(29)26(23-24-27)19-15-9-10-16-20(19)30-18-13-7-4-8-14-18/h4,7-10,13-17H,2-3,5-6,11-12H2,1H3
InChIKeySJBRALJQDQOZEE-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.84
Rot. Bonds5

About N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide

N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide (PubChem CID 58502492) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
PubChem CID58502492
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Oc2ccccc2)c1=O)C1CCCCC1
InChIInChI=1S/C22H25N5O3/c1-2-25(17-11-5-3-6-12-17)21(28)27-22(29)26(23-24-27)19-15-9-10-16-20(19)30-18-13-7-4-8-14-18/h4,7-10,13-17H,2-3,5-6,11-12H2,1H3
InChIKeySJBRALJQDQOZEE-UHFFFAOYSA-N
XLogP3.84
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)-N-cyclopentyl-N-ethyl-5-oxotetrazole-1-carboxamide
CID 15219374
N-ethyl-N-(2-fluorophenyl)-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502221
N-cyclohexyl-N-ethyl-5-oxo-4-pyrimidin-5-yltetrazole-1-carboxamide
CID 19070649
N-cyclohexyl-4-(2,6-difluorophenyl)-N-(4-methyl-2-phenoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58501912
1-cyclopropyl-1-ethyl-3-[1-(2-phenoxyphenyl)ethyl]urea
CID 86881053
4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-6-oxotriazine-1-carboxamide
CID 159635887
N-(3-aminopropyl)-N-cyclohexyl-4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carboxamide
CID 70668249
N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502440
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
N-ethyl-N-(5-formyl-2-hydroxyphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 88881788
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
benzyl 4-[[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]-methylamino]benzoate
CID 126499071

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide (CID 58502492) is N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2ccccc2Oc2ccccc2)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide?
The InChIKey is SJBRALJQDQOZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-25(17-11-5-3-6-12-17)21(28)27-22(29)26(23-24-27)19-15-9-10-16-20(19)30-18-13-7-4-8-14-18/h4,7-10,13-17H,2-3,5-6,11-12H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide?
N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide is sourced from PubChem (CID 58502492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).