N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide

C20H23N5O3 — CID 25162346

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1OCC
InChIInChI=1S/C20H23N5O3/c1-3-27-18-9-8-15(12-19(18)28-4-2)10-11-21-20(26)16-6-5-7-17(13-16)25-14-22-23-24-25/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,26)
InChIKeyIWPSMPVAVKHNLU-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.43
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 25162346) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID25162346
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1OCC
InChIInChI=1S/C20H23N5O3/c1-3-27-18-9-8-15(12-19(18)28-4-2)10-11-21-20(26)16-6-5-7-17(13-16)25-14-22-23-24-25/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,26)
InChIKeyIWPSMPVAVKHNLU-UHFFFAOYSA-N
XLogP2.43
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-3-(3-hydroxy-4-methoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 8814115
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
4-{5-[2-methoxy-4-(1-propen-1-yl)phenoxy]-1H-tetrazol-1-yl}benzamide
CID 979756
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
3-(2-(1H-tetrazol-1-yl)phenethoxy)-N,N-diisobutyl-5-methylbenzamide
CID 53320283
N-(5-Acetyl-2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 118633152
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 4804274
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 16259852
3,4,5-Trimethoxy-N-(3-methyl-4-tetrazol-1-yl-phenyl)-benzamide
CID 645959

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide (CID 25162346) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide is CCOc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is IWPSMPVAVKHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-27-18-9-8-15(12-19(18)28-4-2)10-11-21-20(26)16-6-5-7-17(13-16)25-14-22-23-24-25/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 381.44 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25162346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).