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

C13H17N5O2 — CID 894047

IUPAC2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C)cc2)n1
InChIInChI=1S/C13H17N5O2/c1-3-8-18-16-13(15-17-18)14-12(19)9-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16,19)
InChIKeyRJWDTZQCZBJSKZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds6

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

2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 894047) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID894047
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C)cc2)n1
InChIInChI=1S/C13H17N5O2/c1-3-8-18-16-13(15-17-18)14-12(19)9-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16,19)
InChIKeyRJWDTZQCZBJSKZ-UHFFFAOYSA-N
XLogP1.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
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-(4-cyclohexylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893627
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-{4-[(5-Amino-tetrazol-1-ylamino)-methyl]-phenoxy}-N-tert-butyl-acetamide
CID 654110
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
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-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 894047) is 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc(C)cc2)n1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is RJWDTZQCZBJSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-8-18-16-13(15-17-18)14-12(19)9-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16,19).
What are the key properties of 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 894047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).