N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide

C22H28N6O — CID 42500060

IUPACN-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(CC)CCN(C)C(=O)c1cc(-c2cccc(C)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C22H28N6O/c1-5-27(6-2)11-10-26(4)22(29)20-13-19(18-9-7-8-17(3)12-18)14-21(15-20)28-16-23-24-25-28/h7-9,12-16H,5-6,10-11H2,1-4H3
InChIKeyOAAUHDVTMMYYAH-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.05
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide

N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 42500060) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID42500060
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(CC)CCN(C)C(=O)c1cc(-c2cccc(C)c2)cc(-n2cnnn2)c1
InChIInChI=1S/C22H28N6O/c1-5-27(6-2)11-10-26(4)22(29)20-13-19(18-9-7-8-17(3)12-18)14-21(15-20)28-16-23-24-25-28/h7-9,12-16H,5-6,10-11H2,1-4H3
InChIKeyOAAUHDVTMMYYAH-UHFFFAOYSA-N
XLogP3.05
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118759932
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 56859401
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
CID 42540851
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
5-(3-methylphenyl)-2-(tetrazol-1-yl)benzoic acid
CID 125456461
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide (CID 42500060) is N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide is CCN(CC)CCN(C)C(=O)c1cc(-c2cccc(C)c2)cc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is OAAUHDVTMMYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-5-27(6-2)11-10-26(4)22(29)20-13-19(18-9-7-8-17(3)12-18)14-21(15-20)28-16-23-24-25-28/h7-9,12-16H,5-6,10-11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide?
N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 392.51 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42500060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).