2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

C13H17N5O2 — CID 960277

IUPAC2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C13H17N5O2/c1-3-8-18-13(15-16-17-18)14-12(19)9-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,15,17,19)
InChIKeyXBXMPGPDLABBFU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide

2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (PubChem CID 960277) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
PubChem CID960277
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnnc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C13H17N5O2/c1-3-8-18-13(15-16-17-18)14-12(19)9-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,15,17,19)
InChIKeyXBXMPGPDLABBFU-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-(2-nitrophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 960309
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
4-[(2S)-butan-2-yl]oxy-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 40616842
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide (CID 960277) is 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide is CCCn1nnnc1NC(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
The InChIKey is XBXMPGPDLABBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-8-18-13(15-16-17-18)14-12(19)9-20-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,15,17,19).
What are the key properties of 2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide?
2-(4-methylphenoxy)-N-(1-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-(1-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 960277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).