3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide

C18H19N5O5 — CID 1273889

IUPAC3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C18H19N5O5/c1-25-14-8-12(7-13(9-14)23-10-19-21-22-23)20-18(24)11-5-15(26-2)17(28-4)16(6-11)27-3/h5-10H,1-4H3,(H,20,24)
InChIKeyOIGLKMSETNVBOB-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.95
Rot. Bonds7

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

3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 1273889) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID1273889
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C18H19N5O5/c1-25-14-8-12(7-13(9-14)23-10-19-21-22-23)20-18(24)11-5-15(26-2)17(28-4)16(6-11)27-3/h5-10H,1-4H3,(H,20,24)
InChIKeyOIGLKMSETNVBOB-UHFFFAOYSA-N
XLogP1.95
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 131801162
[5-Amino-3-(4-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708605
[5-Amino-3-(4-ethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708608
[5-Amino-3-(3-methoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708612
2,6-dimethoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7711579
3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
CID 665789
3,5-Dimethoxy-N-(3-methyl-4-tetrazol-1-yl-phenyl)-benzamide
CID 653969
5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792599
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
(5-Amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 118708603
[5-Amino-3-(4-fluoroanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708604

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide (CID 1273889) is 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide is COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(-n2cnnn2)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is OIGLKMSETNVBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-25-14-8-12(7-13(9-14)23-10-19-21-22-23)20-18(24)11-5-15(26-2)17(28-4)16(6-11)27-3/h5-10H,1-4H3,(H,20,24).
What are the key properties of 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 385.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 1273889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).