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

C24H23N5O3 — CID 42212306

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)cc(-n3cnnn3)c2)c1OC
InChIInChI=1S/C24H23N5O3/c1-16-7-9-17(10-8-16)19-11-20(13-21(12-19)29-15-26-27-28-29)24(30)25-14-18-5-4-6-22(31-2)23(18)32-3/h4-13,15H,14H2,1-3H3,(H,25,30)
InChIKeyDMLOTRADVDEERX-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.58
Rot. Bonds7

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

N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 42212306) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID42212306
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)cc(-n3cnnn3)c2)c1OC
InChIInChI=1S/C24H23N5O3/c1-16-7-9-17(10-8-16)19-11-20(13-21(12-19)29-15-26-27-28-29)24(30)25-14-18-5-4-6-22(31-2)23(18)32-3/h4-13,15H,14H2,1-3H3,(H,25,30)
InChIKeyDMLOTRADVDEERX-UHFFFAOYSA-N
XLogP3.58
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 4804274
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 122640774
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (CID 42212306) is N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is COc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)cc(-n3cnnn3)c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is DMLOTRADVDEERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16-7-9-17(10-8-16)19-11-20(13-21(12-19)29-15-26-27-28-29)24(30)25-14-18-5-4-6-22(31-2)23(18)32-3/h4-13,15H,14H2,1-3H3,(H,25,30).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42212306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).