3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide

C26H27N5O5 — CID 25255134

IUPAC3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc(-n3cnnn3)c2)c1
InChIInChI=1S/C26H27N5O5/c1-33-21-6-8-23(34-2)22(15-21)18-12-19(14-20(13-18)31-16-28-29-30-31)26(32)27-10-9-17-5-7-24(35-3)25(11-17)36-4/h5-8,11-16H,9-10H2,1-4H3,(H,27,32)
InChIKeyMVELHTIUUCLFOV-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.34
Rot. Bonds10

About 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide

3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide (PubChem CID 25255134) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
PubChem CID25255134
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc(-n3cnnn3)c2)c1
InChIInChI=1S/C26H27N5O5/c1-33-21-6-8-23(34-2)22(15-21)18-12-19(14-20(13-18)31-16-28-29-30-31)26(32)27-10-9-17-5-7-24(35-3)25(11-17)36-4/h5-8,11-16H,9-10H2,1-4H3,(H,27,32)
InChIKeyMVELHTIUUCLFOV-UHFFFAOYSA-N
XLogP3.34
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25252656
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylsulfanylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252658
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
[3-(2,5-dimethoxyphenyl)-5-(tetrazol-1-yl)phenyl]-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 26343432
[3-(2,5-dimethoxyphenyl)-5-(tetrazol-1-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 26343434
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3474124
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide
CID 26326986

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide (CID 25255134) is 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide is COc1ccc(OC)c(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc(-n3cnnn3)c2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
The InChIKey is MVELHTIUUCLFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-33-21-6-8-23(34-2)22(15-21)18-12-19(14-20(13-18)31-16-28-29-30-31)26(32)27-10-9-17-5-7-24(35-3)25(11-17)36-4/h5-8,11-16H,9-10H2,1-4H3,(H,27,32).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide?
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide has a molecular weight of 489.53 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25255134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).