N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide

C18H19N5O3 — CID 645686

IUPACN-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C18H19N5O3/c1-4-23-21-17(20-22-23)15-7-5-6-8-16(15)19-18(24)12-9-13(25-2)11-14(10-12)26-3/h5-11H,4H2,1-3H3,(H,19,24)
InChIKeyILOOIPBRNKAWPI-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide

N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 645686) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
PubChem CID645686
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C18H19N5O3/c1-4-23-21-17(20-22-23)15-7-5-6-8-16(15)19-18(24)12-9-13(25-2)11-14(10-12)26-3/h5-11H,4H2,1-3H3,(H,19,24)
InChIKeyILOOIPBRNKAWPI-UHFFFAOYSA-N
XLogP2.63
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide (CID 645686) is N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide is CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)n1.
What is the InChIKey of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is ILOOIPBRNKAWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-23-21-17(20-22-23)15-7-5-6-8-16(15)19-18(24)12-9-13(25-2)11-14(10-12)26-3/h5-11H,4H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide?
N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 353.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 645686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).