2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

C19H20N6O4 — CID 13482095

IUPAC2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N/NC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H20N6O4/c1-27-15-7-5-4-6-14(15)11-20-21-18(26)12-25-23-19(22-24-25)13-8-9-16(28-2)17(10-13)29-3/h4-11H,12H2,1-3H3,(H,21,26)/b20-11+
InChIKeyGVKMHYUTMIWJFQ-RGVLZGJSSA-N
MW396.41 g/mol
LogP1.52
Rot. Bonds8

About 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 13482095) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID13482095
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N/NC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H20N6O4/c1-27-15-7-5-4-6-14(15)11-20-21-18(26)12-25-23-19(22-24-25)13-8-9-16(28-2)17(10-13)29-3/h4-11H,12H2,1-3H3,(H,21,26)/b20-11+
InChIKeyGVKMHYUTMIWJFQ-RGVLZGJSSA-N
XLogP1.52
TPSA112.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
[5-(4-Benzyloxy-3-methoxy-phenyl)-tetrazol-2-yl]-acetonitrile
CID 650154
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571
[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetic acid cyclohexyl ester
CID 655622
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[5-(2,3-dimethoxy-phenyl)-tetrazol-2-yl]-acetamide
CID 655665
N-benzyl-2-[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetamide
CID 1505225
N-cyclohexyl-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 56604863
2-Benzyl-5-(3,4-dimethoxy-phenyl)-2H-tetrazole
CID 842833
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]acetamide
CID 1073158
Phenol, 4-((5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)methyl)-2,6-dimethyl-
CID 3025579

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (CID 13482095) is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is COc1ccccc1/C=N/NC(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is GVKMHYUTMIWJFQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-27-15-7-5-4-6-14(15)11-20-21-18(26)12-25-23-19(22-24-25)13-8-9-16(28-2)17(10-13)29-3/h4-11H,12H2,1-3H3,(H,21,26)/b20-11+.
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 396.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 13482095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).