N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide

C15H19N5O2 — CID 75519257

IUPACN-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
SMILESCCC1(NC(=O)c2ccc(OC)c(-n3cnnn3)c2)CCC1
InChIInChI=1S/C15H19N5O2/c1-3-15(7-4-8-15)17-14(21)11-5-6-13(22-2)12(9-11)20-10-16-18-19-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21)
InChIKeyYIBKWYOEORXJHH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.73
Rot. Bonds5

About N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide

N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide (PubChem CID 75519257) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
PubChem CID75519257
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
SMILESCCC1(NC(=O)c2ccc(OC)c(-n3cnnn3)c2)CCC1
InChIInChI=1S/C15H19N5O2/c1-3-15(7-4-8-15)17-14(21)11-5-6-13(22-2)12(9-11)20-10-16-18-19-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21)
InChIKeyYIBKWYOEORXJHH-UHFFFAOYSA-N
XLogP1.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 126804442
7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 139007189
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
CID 139001408
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 120524969
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75519212
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
CID 120535194
1-[4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
CID 139001313

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide (CID 75519257) is N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide is CCC1(NC(=O)c2ccc(OC)c(-n3cnnn3)c2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide?
The InChIKey is YIBKWYOEORXJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-15(7-4-8-15)17-14(21)11-5-6-13(22-2)12(9-11)20-10-16-18-19-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21).
What are the key properties of N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide?
N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 75519257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).