N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide

C15H21N5O2 — CID 4264662

IUPACN-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1
InChIInChI=1S/C15H21N5O2/c1-3-5-10-20-18-15(17-19-20)16-14(21)11-22-13-8-6-12(4-2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,16,18,21)
InChIKeyBMDQORGQJDRDHB-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.05
Rot. Bonds8

About N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide

N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide (PubChem CID 4264662) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide
PubChem CID4264662
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1
InChIInChI=1S/C15H21N5O2/c1-3-5-10-20-18-15(17-19-20)16-14(21)11-22-13-8-6-12(4-2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,16,18,21)
InChIKeyBMDQORGQJDRDHB-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.05
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-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

Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide (CID 4264662) is N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide is CCCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is BMDQORGQJDRDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-5-10-20-18-15(17-19-20)16-14(21)11-22-13-8-6-12(4-2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,16,18,21).
What are the key properties of N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide?
N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 303.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 4264662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).