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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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).