2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide

C13H17N5O2 — CID 893957

IUPAC2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(C)c2OC)n1
InChIInChI=1S/C13H17N5O2/c1-4-8-18-16-13(15-17-18)14-12(19)10-7-5-6-9(2)11(10)20-3/h5-7H,4,8H2,1-3H3,(H,14,16,19)
InChIKeyXYCQYHLQVMJOEA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.65
Rot. Bonds5

About 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide

2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 893957) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID893957
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(C)c2OC)n1
InChIInChI=1S/C13H17N5O2/c1-4-8-18-16-13(15-17-18)14-12(19)10-7-5-6-9(2)11(10)20-3/h5-7H,4,8H2,1-3H3,(H,14,16,19)
InChIKeyXYCQYHLQVMJOEA-UHFFFAOYSA-N
XLogP1.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 663030
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
N-(2-ethyl-2H-tetrazol-5-yl)-3-(2-oxo-2H-chromen-3-yl)benzamide
CID 1091686

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide (CID 893957) is 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cccc(C)c2OC)n1.
What is the InChIKey of 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is XYCQYHLQVMJOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-8-18-16-13(15-17-18)14-12(19)10-7-5-6-9(2)11(10)20-3/h5-7H,4,8H2,1-3H3,(H,14,16,19).
What are the key properties of 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide?
2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 893957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).