4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide

C19H20N6O3 — CID 55322701

IUPAC4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)n2)c1
InChIInChI=1S/C19H20N6O3/c1-24(2)19(27)13-7-9-15(10-8-13)20-17(26)12-25-22-18(21-23-25)14-5-4-6-16(11-14)28-3/h4-11H,12H2,1-3H3,(H,20,26)
InChIKeyVSDXJAVWXTWWKI-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.69
Rot. Bonds6

About 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 55322701) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID55322701
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)n2)c1
InChIInChI=1S/C19H20N6O3/c1-24(2)19(27)13-7-9-15(10-8-13)20-17(26)12-25-22-18(21-23-25)14-5-4-6-16(11-14)28-3/h4-11H,12H2,1-3H3,(H,20,26)
InChIKeyVSDXJAVWXTWWKI-UHFFFAOYSA-N
XLogP1.69
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 36657784
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 18273197
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-(3-methoxyphenyl)-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6484449
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 55322701) is 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide is COc1cccc(-c2nnn(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)n2)c1.
What is the InChIKey of 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is VSDXJAVWXTWWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-24(2)19(27)13-7-9-15(10-8-13)20-17(26)12-25-22-18(21-23-25)14-5-4-6-16(11-14)28-3/h4-11H,12H2,1-3H3,(H,20,26).
What are the key properties of 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 380.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).