4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide

C15H23N5O3Si — CID 14873723

IUPAC4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1[Si](C)(C)C
InChIInChI=1S/C15H23N5O3Si/c1-9(2)23-12-10(14(21)16-15-17-19-20-18-15)7-8-11(22-3)13(12)24(4,5)6/h7-9H,1-6H3,(H2,16,17,18,19,20,21)
InChIKeyLVFUAIBLBSSQSV-UHFFFAOYSA-N
MW349.47 g/mol
LogP1.79
Rot. Bonds6

About 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide

4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide (PubChem CID 14873723) has the molecular formula C15H23N5O3Si and a molecular weight of 349.47 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide
PubChem CID14873723
Molecular FormulaC15H23N5O3Si
Molecular Weight349.47 g/mol
Exact Mass349.16
IUPAC Name4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1[Si](C)(C)C
InChIInChI=1S/C15H23N5O3Si/c1-9(2)23-12-10(14(21)16-15-17-19-20-18-15)7-8-11(22-3)13(12)24(4,5)6/h7-9H,1-6H3,(H2,16,17,18,19,20,21)
InChIKeyLVFUAIBLBSSQSV-UHFFFAOYSA-N
XLogP1.79
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276516
4-methoxy-2-(1-methylethoxy)-N-1H-tetrazol-5-ylbenzamide
CID 14276517
3,5-dibromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14873724
2,6-dimethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 879615
4-(cyclohexylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 96327853
3,4,5-triethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 1358440
2,4-dimethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896935
2,6-dimethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 954606
4-ethoxy-N-(2H-tetrazol-5-yl)benzamide
CID 4449077

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide?
The IUPAC name of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide (CID 14873723) is 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide.
What is the SMILES notation for 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide?
The canonical SMILES for 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide is COc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1[Si](C)(C)C.
What is the InChIKey of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide?
The InChIKey is LVFUAIBLBSSQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3Si/c1-9(2)23-12-10(14(21)16-15-17-19-20-18-15)7-8-11(22-3)13(12)24(4,5)6/h7-9H,1-6H3,(H2,16,17,18,19,20,21).
What are the key properties of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide?
4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide has a molecular weight of 349.47 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide is sourced from PubChem (CID 14873723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).