2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C14H19N5O2 — CID 954289

IUPAC2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H19N5O2/c1-4-7-19-17-14(16-18-19)15-13(20)9-21-12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,20)
InChIKeyJGTYOAXLQXVYDG-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.72
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 954289) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID954289
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H19N5O2/c1-4-7-19-17-14(16-18-19)15-13(20)9-21-12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,20)
InChIKeyJGTYOAXLQXVYDG-UHFFFAOYSA-N
XLogP1.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide
CID 955478
2-(4-nitrophenoxy)-N-(2-propyltetrazol-5-yl)acetamide
CID 894286
2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
CID 17177374
N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3502326
N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 20897224
2-(4-cyclohexylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide
CID 953175
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-methyltetrazol-5-yl)acetamide
CID 953421
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methyltetrazol-5-yl)acetamide
CID 953422
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 954289) is 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is JGTYOAXLQXVYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-7-19-17-14(16-18-19)15-13(20)9-21-12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,20).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 954289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).