N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide

C11H13N5O2 — CID 925659

IUPACN-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C11H13N5O2/c1-3-16-11(13-14-15-16)12-10(17)8-5-4-6-9(7-8)18-2/h4-7H,3H2,1-2H3,(H,12,13,15,17)
InChIKeyACECEMRPKSUVBB-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.95
Rot. Bonds4

About N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide

N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide (PubChem CID 925659) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
PubChem CID925659
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C11H13N5O2/c1-3-16-11(13-14-15-16)12-10(17)8-5-4-6-9(7-8)18-2/h4-7H,3H2,1-2H3,(H,12,13,15,17)
InChIKeyACECEMRPKSUVBB-UHFFFAOYSA-N
XLogP0.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide
CID 957991
3-bromo-4-methoxy-N-(1-propyltetrazol-5-yl)benzamide
CID 960223
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
CID 19296682
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide
CID 27444840
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide (CID 925659) is N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide is CCn1nnnc1NC(=O)c1cccc(OC)c1.
What is the InChIKey of N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide?
The InChIKey is ACECEMRPKSUVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-16-11(13-14-15-16)12-10(17)8-5-4-6-9(7-8)18-2/h4-7H,3H2,1-2H3,(H,12,13,15,17).
What are the key properties of N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide?
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide has a molecular weight of 247.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 925659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).