N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide

C13H17N5O4 — CID 925621

IUPACN-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H17N5O4/c1-5-18-13(15-16-17-18)14-12(19)8-6-9(20-2)11(22-4)10(7-8)21-3/h6-7H,5H2,1-4H3,(H,14,15,17,19)
InChIKeyFKJINYJNXAJGTP-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.97
Rot. Bonds6

About N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide

N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 925621) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID925621
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC NameN-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H17N5O4/c1-5-18-13(15-16-17-18)14-12(19)8-6-9(20-2)11(22-4)10(7-8)21-3/h6-7H,5H2,1-4H3,(H,14,15,17,19)
InChIKeyFKJINYJNXAJGTP-UHFFFAOYSA-N
XLogP0.97
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 4725810
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
1-butyl-N-[(3,4,5-trimethoxyphenyl)methyl]tetrazol-5-amine
CID 666461
3,4,5-triethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 5228490
3-(4-methylphenyl)-1-(3,4,5-trimethoxybenzoyl)-1H-1,2,4-triazol-5-amine
CID 20898942
3,4,5-trimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2787311
3,4,5-trimethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 812637
3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 2315619
2,4,5-trimethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 912398
N-(4-Phenyl-butyl)-N''-(3,4,5-trimethoxy-benzoyl)-guanidine
CID 22149198
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 4207518

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide (CID 925621) is N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide is CCn1nnnc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is FKJINYJNXAJGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-5-18-13(15-16-17-18)14-12(19)8-6-9(20-2)11(22-4)10(7-8)21-3/h6-7H,5H2,1-4H3,(H,14,15,17,19).
What are the key properties of N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide?
N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 307.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltetrazol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 925621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).