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

C17H17N5O — CID 166719133

IUPACN-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5O/c1-13-8-10-15(11-9-13)21(2)16(23)12-22-19-17(18-20-22)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyOHUZKVURPNHBAE-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.31
Rot. Bonds4

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

N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 166719133) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID166719133
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5O/c1-13-8-10-15(11-9-13)21(2)16(23)12-22-19-17(18-20-22)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyOHUZKVURPNHBAE-UHFFFAOYSA-N
XLogP2.31
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 136579129
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 166719133) is N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc(N(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is OHUZKVURPNHBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13-8-10-15(11-9-13)21(2)16(23)12-22-19-17(18-20-22)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 166719133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).