2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

C19H22N6O — CID 72938798

IUPAC2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESCc1ccccc1C(C(=O)NCc1nnnn1-c1ccccc1)N(C)C
InChIInChI=1S/C19H22N6O/c1-14-9-7-8-12-16(14)18(24(2)3)19(26)20-13-17-21-22-23-25(17)15-10-5-4-6-11-15/h4-12,18H,13H2,1-3H3,(H,20,26)
InChIKeyGAGMYYVAZHNPQN-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.89
Rot. Bonds6

About 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (PubChem CID 72938798) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
PubChem CID72938798
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESCc1ccccc1C(C(=O)NCc1nnnn1-c1ccccc1)N(C)C
InChIInChI=1S/C19H22N6O/c1-14-9-7-8-12-16(14)18(24(2)3)19(26)20-13-17-21-22-23-25(17)15-10-5-4-6-11-15/h4-12,18H,13H2,1-3H3,(H,20,26)
InChIKeyGAGMYYVAZHNPQN-UHFFFAOYSA-N
XLogP1.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
CID 97209515
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72854905
2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 60537482
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
CID 18565987
2-(dimethylamino)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(2-methylphenyl)acetamide
CID 72917770
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 77082434

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (CID 72938798) is 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is Cc1ccccc1C(C(=O)NCc1nnnn1-c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The InChIKey is GAGMYYVAZHNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-9-7-8-12-16(14)18(24(2)3)19(26)20-13-17-21-22-23-25(17)15-10-5-4-6-11-15/h4-12,18H,13H2,1-3H3,(H,20,26).
What are the key properties of 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 72938798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).