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

C18H19N5O5 — CID 50776858

IUPAC3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-n1cnnn1
InChIInChI=1S/C18H19N5O5/c1-25-14-6-5-12(9-13(14)23-10-19-21-22-23)20-18(24)11-7-15(26-2)17(28-4)16(8-11)27-3/h5-10H,1-4H3,(H,20,24)
InChIKeyPILDYROIWRAEQL-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.95
Rot. Bonds7

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

3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 50776858) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID50776858
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-n1cnnn1
InChIInChI=1S/C18H19N5O5/c1-25-14-6-5-12(9-13(14)23-10-19-21-22-23)20-18(24)11-7-15(26-2)17(28-4)16(8-11)27-3/h5-10H,1-4H3,(H,20,24)
InChIKeyPILDYROIWRAEQL-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

3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
N-[4-(2-methoxyethoxy)-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635315
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635330
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 42571629
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide (CID 50776858) is 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-n1cnnn1.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is PILDYROIWRAEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-25-14-6-5-12(9-13(14)23-10-19-21-22-23)20-18(24)11-7-15(26-2)17(28-4)16(8-11)27-3/h5-10H,1-4H3,(H,20,24).
What are the key properties of 3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-methoxy-3-(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-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 50776858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).