N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide

C18H25N5O2 — CID 75476338

IUPACN-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCCCC2)cc1-n1cnnn1
InChIInChI=1S/C18H25N5O2/c1-22(15-8-6-4-3-5-7-9-15)18(24)14-10-11-17(25-2)16(12-14)23-13-19-20-21-23/h10-13,15H,3-9H2,1-2H3
InChIKeyIEKXPMQISIAXAL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.86
Rot. Bonds4

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

N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide (PubChem CID 75476338) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
PubChem CID75476338
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCCCC2)cc1-n1cnnn1
InChIInChI=1S/C18H25N5O2/c1-22(15-8-6-4-3-5-7-9-15)18(24)14-10-11-17(25-2)16(12-14)23-13-19-20-21-23/h10-13,15H,3-9H2,1-2H3
InChIKeyIEKXPMQISIAXAL-UHFFFAOYSA-N
XLogP2.86
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75519212
3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
CID 120535194
3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 120524969
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 75501443
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55334509
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
CID 75519257
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
CID 139001408
(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid
CID 120536006
7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 139007189

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide (CID 75476338) is N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide is COc1ccc(C(=O)N(C)C2CCCCCCC2)cc1-n1cnnn1.
What is the InChIKey of N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is IEKXPMQISIAXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22(15-8-6-4-3-5-7-9-15)18(24)14-10-11-17(25-2)16(12-14)23-13-19-20-21-23/h10-13,15H,3-9H2,1-2H3.
What are the key properties of N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 75476338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).