2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C16H23N5O2 — CID 2193871

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C16H23N5O2/c1-5-8-21-19-16(18-20-21)17-15(22)10-23-14-9-12(4)6-7-13(14)11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,19,22)
InChIKeyLVAXNHDJAUCCHF-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.53
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 2193871) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID2193871
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C16H23N5O2/c1-5-8-21-19-16(18-20-21)17-15(22)10-23-14-9-12(4)6-7-13(14)11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,19,22)
InChIKeyLVAXNHDJAUCCHF-UHFFFAOYSA-N
XLogP2.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(4-cyclohexylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893627
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-butyl-2H-tetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 2219062
2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 733458

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 2193871) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is LVAXNHDJAUCCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-8-21-19-16(18-20-21)17-15(22)10-23-14-9-12(4)6-7-13(14)11(2)3/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,19,22).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 2193871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).