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

C26H27N5O3 — CID 25252796

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCCc1ccccc1-c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C26H27N5O3/c1-4-19-7-5-6-8-23(19)20-14-21(16-22(15-20)31-17-28-29-30-31)26(32)27-12-11-18-9-10-24(33-2)25(13-18)34-3/h5-10,13-17H,4,11-12H2,1-3H3,(H,27,32)
InChIKeyMXRXIOCXSDJGPD-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.88
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 25252796) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID25252796
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCCc1ccccc1-c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C26H27N5O3/c1-4-19-7-5-6-8-23(19)20-14-21(16-22(15-20)31-17-28-29-30-31)26(32)27-12-11-18-9-10-24(33-2)25(13-18)34-3/h5-10,13-17H,4,11-12H2,1-3H3,(H,27,32)
InChIKeyMXRXIOCXSDJGPD-UHFFFAOYSA-N
XLogP3.88
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylsulfanylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252658
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25252656
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4863732
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
N-[2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111213306
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide
CID 25253261

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide (CID 25252796) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide is CCc1ccccc1-c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)cc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is MXRXIOCXSDJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-4-19-7-5-6-8-23(19)20-14-21(16-22(15-20)31-17-28-29-30-31)26(32)27-12-11-18-9-10-24(33-2)25(13-18)34-3/h5-10,13-17H,4,11-12H2,1-3H3,(H,27,32).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 457.53 g/mol, XLogP of 3.88, 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-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25252796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).