2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C18H25N5O2 — CID 893627

IUPAC2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C18H25N5O2/c1-2-12-23-21-18(20-22-23)19-17(24)13-25-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H,19,21,24)
InChIKeyKSXMCLNVFPZRBK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.15
Rot. Bonds7

About 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 893627) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID893627
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C18H25N5O2/c1-2-12-23-21-18(20-22-23)19-17(24)13-25-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H,19,21,24)
InChIKeyKSXMCLNVFPZRBK-UHFFFAOYSA-N
XLogP3.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(4-cyclohexylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 936003
2-(4-cyclohexylphenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 953175
N-(2-butyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2219063
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039
2-(2,3-dimethylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953413
N-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 953388
N-(4H-1,2,4-triazol-3-yl)-2-[4-(methylethyl)phenoxy]acetamide
CID 704245
N-(4H-1,2,4-triazol-3-yl)-2-[4-(1-methyl-1-phenylethyl)phenoxy]acetamide
CID 711965

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 893627) is 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is KSXMCLNVFPZRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-12-23-21-18(20-22-23)19-17(24)13-25-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H,19,21,24).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 893627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).