3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide

C21H25N5O4 — CID 46569736

IUPAC3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H25N5O4/c1-5-28-18-11-15(12-19(29-6-2)20(18)30-7-3)21(27)23-16-8-9-17(14(4)10-16)26-13-22-24-25-26/h8-13H,5-7H2,1-4H3,(H,23,27)
InChIKeyPBQGHIROPITBHK-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.42
Rot. Bonds9

About 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide

3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 46569736) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID46569736
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H25N5O4/c1-5-28-18-11-15(12-19(29-6-2)20(18)30-7-3)21(27)23-16-8-9-17(14(4)10-16)26-13-22-24-25-26/h8-13H,5-7H2,1-4H3,(H,23,27)
InChIKeyPBQGHIROPITBHK-UHFFFAOYSA-N
XLogP3.42
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]-5-nitrobenzoate
CID 36722501
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 36722972
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide (CID 46569736) is 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is PBQGHIROPITBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-5-28-18-11-15(12-19(29-6-2)20(18)30-7-3)21(27)23-16-8-9-17(14(4)10-16)26-13-22-24-25-26/h8-13H,5-7H2,1-4H3,(H,23,27).
What are the key properties of 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 46569736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).