N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide

C19H20N6O2 — CID 16609298

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N6O2/c1-14-8-10-16(11-9-14)20-17(26)12-24(2)18(27)13-25-22-19(21-23-25)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,26)
InChIKeyMNVBXJIOASESCI-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.75
Rot. Bonds6

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 16609298) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID16609298
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N6O2/c1-14-8-10-16(11-9-14)20-17(26)12-24(2)18(27)13-25-22-19(21-23-25)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,26)
InChIKeyMNVBXJIOASESCI-UHFFFAOYSA-N
XLogP1.75
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 16609298) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is MNVBXJIOASESCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-14-8-10-16(11-9-14)20-17(26)12-24(2)18(27)13-25-22-19(21-23-25)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,20,26).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 16609298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).