N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

C17H17N5O2 — CID 166719163

IUPACN-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5O2/c1-21(14-8-10-15(24-2)11-9-14)16(23)12-22-19-17(18-20-22)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyAISPDYQKJQSSET-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.01
Rot. Bonds5

About N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 166719163) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID166719163
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5O2/c1-21(14-8-10-15(24-2)11-9-14)16(23)12-22-19-17(18-20-22)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyAISPDYQKJQSSET-UHFFFAOYSA-N
XLogP2.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473372
2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
2-((3-((4-(1H-tetrazol-5-yl)benzyl)(methyl)amino)propyl)(methyl)amino)-N-(4-phenoxyphenyl)acetamide
CID 44567664
N-[(3-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 49872580
N-[(4-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 49872583
N-[(3-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872682
N-[(4-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872683
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 49872772
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-methoxyphenyl)methyl]pentanamide
CID 49872869
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methoxyphenyl)methyl]pentanamide
CID 49872870
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 49872871
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 49872960

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 166719163) is N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is COc1ccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is AISPDYQKJQSSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(14-8-10-15(24-2)11-9-14)16(23)12-22-19-17(18-20-22)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 166719163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).