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

C20H22N6O2 — CID 2527005

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C20H22N6O2/c1-14-8-10-16(11-9-14)21-18(27)12-25(3)19(28)13-26-23-20(22-24-26)17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3,(H,21,27)
InChIKeyGFHSSANCBXHXDT-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.05
Rot. Bonds6

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

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 2527005) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID2527005
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C20H22N6O2/c1-14-8-10-16(11-9-14)21-18(27)12-25(3)19(28)13-26-23-20(22-24-26)17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3,(H,21,27)
InChIKeyGFHSSANCBXHXDT-UHFFFAOYSA-N
XLogP2.05
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.05
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-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 2527005) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3ccccc3C)n2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is GFHSSANCBXHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-8-10-16(11-9-14)21-18(27)12-25(3)19(28)13-26-23-20(22-24-26)17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3,(H,21,27).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.05, 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-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 2527005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).