2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C18H23ClN6O3 — CID 2946292

IUPAC2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C18H23ClN6O3/c1-13(26)21-18(9-3-2-4-10-18)16-22-23-24-25(16)11-12-28-17(27)20-15-7-5-14(19)6-8-15/h5-8H,2-4,9-12H2,1H3,(H,20,27)(H,21,26)
InChIKeyVWDZNPVMCHEPRD-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.87
Rot. Bonds6

About 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 2946292) has the molecular formula C18H23ClN6O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID2946292
Molecular FormulaC18H23ClN6O3
Molecular Weight406.87 g/mol
Exact Mass406.15
IUPAC Name2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C18H23ClN6O3/c1-13(26)21-18(9-3-2-4-10-18)16-22-23-24-25(16)11-12-28-17(27)20-15-7-5-14(19)6-8-15/h5-8H,2-4,9-12H2,1H3,(H,20,27)(H,21,26)
InChIKeyVWDZNPVMCHEPRD-UHFFFAOYSA-N
XLogP2.87
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-{[4-(dimethylamino)phenyl](morpholin-4-yl)methyl}-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 645507
N-(4-chlorophenyl)-N-[1-(1-cyclohexyl-1H-tetraazol-5-yl)cyclohexyl]amine
CID 1034633
2-(5-(1-(Dimethylamino)cyclohexyl)-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 1304886
2-(5-{1-[acetyl(methyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl 4-chlorophenylcarbamate
CID 3240278
2-(5-{1-[(methoxyacetyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl 4-chlorophenylcarbamate
CID 3944840
2-{5-[1-(acetylamino)cyclopentyl]-1H-tetrazol-1-yl}ethyl 4-chlorophenylcarbamate
CID 3745640
2-(5-{1-[(4-Methylphenyl)amino]cyclohexyl}-1H-1,2,3,4-tetrazol-1-YL)ethyl N-(4-chlorophenyl)carbamate
CID 1078844
(4-Chloro-phenyl)-carbamic acid 2-{5-[(2-chloro-phenyl)-morpholin-4-yl-methyl]-tetrazol-1-yl}-ethyl ester
CID 3136029
2-{5-[morpholin-4-yl(phenyl)methyl]-1H-tetrazol-1-yl}ethyl 4-chlorophenylcarbamate
CID 3242324
2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 3497585
2-(5-{1-[(methoxyacetyl)(methyl)amino]cyclohexyl}-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 2944922
2-(5-{1-[(methoxyacetyl)(methyl)amino]cyclopentyl}-1H-tetrazol-1-yl)ethyl (4-chlorophenyl)carbamate
CID 2972571

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 2946292) is 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is CC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is VWDZNPVMCHEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O3/c1-13(26)21-18(9-3-2-4-10-18)16-22-23-24-25(16)11-12-28-17(27)20-15-7-5-14(19)6-8-15/h5-8H,2-4,9-12H2,1H3,(H,20,27)(H,21,26).
What are the key properties of 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 406.87 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-acetamidocyclohexyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 2946292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).