N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide

C21H25N5O4 — CID 42421765

IUPACN,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)c(OC)c2OC)cc(-n2cnnn2)c1
InChIInChI=1S/C21H25N5O4/c1-6-25(7-2)21(27)15-10-14(11-16(12-15)26-13-22-23-24-26)17-8-9-18(28-3)20(30-5)19(17)29-4/h8-13H,6-7H2,1-5H3
InChIKeyZUIYHSKAUYDGQU-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.84
Rot. Bonds8

About N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide

N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide (PubChem CID 42421765) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
PubChem CID42421765
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)c(OC)c2OC)cc(-n2cnnn2)c1
InChIInChI=1S/C21H25N5O4/c1-6-25(7-2)21(27)15-10-14(11-16(12-15)26-13-22-23-24-26)17-8-9-18(28-3)20(30-5)19(17)29-4/h8-13H,6-7H2,1-5H3
InChIKeyZUIYHSKAUYDGQU-UHFFFAOYSA-N
XLogP2.84
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
CID 42540851
N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 56859401
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25255134
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 56858702
3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25252656
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
The IUPAC name of N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide (CID 42421765) is N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide.
What is the SMILES notation for N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
The canonical SMILES for N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide is CCN(CC)C(=O)c1cc(-c2ccc(OC)c(OC)c2OC)cc(-n2cnnn2)c1.
What is the InChIKey of N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
The InChIKey is ZUIYHSKAUYDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-6-25(7-2)21(27)15-10-14(11-16(12-15)26-13-22-23-24-26)17-8-9-18(28-3)20(30-5)19(17)29-4/h8-13H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide has a molecular weight of 411.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide is sourced from PubChem (CID 42421765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).