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

C18H25ClN6O2 — CID 1304886

IUPAC2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C18H25ClN6O2/c1-24(2)18(10-4-3-5-11-18)16-21-22-23-25(16)12-13-27-17(26)20-15-8-6-14(19)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,20,26)
InChIKeyVGQNNZAKPVUEGN-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.30
Rot. Bonds6

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

2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 1304886) has the molecular formula C18H25ClN6O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID1304886
Molecular FormulaC18H25ClN6O2
Molecular Weight392.89 g/mol
Exact Mass392.17
IUPAC Name2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C18H25ClN6O2/c1-24(2)18(10-4-3-5-11-18)16-21-22-23-25(16)12-13-27-17(26)20-15-8-6-14(19)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,20,26)
InChIKeyVGQNNZAKPVUEGN-UHFFFAOYSA-N
XLogP3.30
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 1304886) is 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is CN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is VGQNNZAKPVUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O2/c1-24(2)18(10-4-3-5-11-18)16-21-22-23-25(16)12-13-27-17(26)20-15-8-6-14(19)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,20,26).
What are the key properties of 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 392.89 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 1304886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).