N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide

C24H23N5O4 — CID 118737177

IUPACN-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-4-33-18-12-10-17(11-13-18)29-27-23(26-28-29)19-7-5-6-8-20(19)25-24(30)16-9-14-21(31-2)22(15-16)32-3/h5-15H,4H2,1-3H3,(H,25,30)
InChIKeyXOHZXXIUIWVFAI-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.00
Rot. Bonds8

About N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide

N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 118737177) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide
PubChem CID118737177
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-4-33-18-12-10-17(11-13-18)29-27-23(26-28-29)19-7-5-6-8-20(19)25-24(30)16-9-14-21(31-2)22(15-16)32-3/h5-15H,4H2,1-3H3,(H,25,30)
InChIKeyXOHZXXIUIWVFAI-UHFFFAOYSA-N
XLogP4.00
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide (CID 118737177) is N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide is CCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is XOHZXXIUIWVFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-4-33-18-12-10-17(11-13-18)29-27-23(26-28-29)19-7-5-6-8-20(19)25-24(30)16-9-14-21(31-2)22(15-16)32-3/h5-15H,4H2,1-3H3,(H,25,30).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide?
N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 445.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 118737177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).