N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide

C12H15N5O3 — CID 650151

IUPACN-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide
SMILESCCn1nnc(NC(=O)c2c(OC)cccc2OC)n1
InChIInChI=1S/C12H15N5O3/c1-4-17-15-12(14-16-17)13-11(18)10-8(19-2)6-5-7-9(10)20-3/h5-7H,4H2,1-3H3,(H,13,15,18)
InChIKeyCOZBOJCTHHKAAZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.96
Rot. Bonds5

About N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide

N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide (PubChem CID 650151) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide
PubChem CID650151
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide
SMILESCCn1nnc(NC(=O)c2c(OC)cccc2OC)n1
InChIInChI=1S/C12H15N5O3/c1-4-17-15-12(14-16-17)13-11(18)10-8(19-2)6-5-7-9(10)20-3/h5-7H,4H2,1-3H3,(H,13,15,18)
InChIKeyCOZBOJCTHHKAAZ-UHFFFAOYSA-N
XLogP0.96
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Bas 07005712
CID 656143
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 821625
5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 746125
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
CID 824050
Benzamide, 2,6-dimethoxy-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-
CID 698933

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide (CID 650151) is N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide is CCn1nnc(NC(=O)c2c(OC)cccc2OC)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide?
The InChIKey is COZBOJCTHHKAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-4-17-15-12(14-16-17)13-11(18)10-8(19-2)6-5-7-9(10)20-3/h5-7H,4H2,1-3H3,(H,13,15,18).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide?
N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide has a molecular weight of 277.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 650151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).