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

C24H23N5O4 — CID 25252950

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C24H23N5O4/c1-31-21-7-5-4-6-20(21)17-11-18(13-19(12-17)29-15-26-27-28-29)24(30)25-14-16-8-9-22(32-2)23(10-16)33-3/h4-13,15H,14H2,1-3H3,(H,25,30)
InChIKeyOQPPLMPHRZLCGP-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.29
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 25252950) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID25252950
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C24H23N5O4/c1-31-21-7-5-4-6-20(21)17-11-18(13-19(12-17)29-15-26-27-28-29)24(30)25-14-16-8-9-22(32-2)23(10-16)33-3/h4-13,15H,14H2,1-3H3,(H,25,30)
InChIKeyOQPPLMPHRZLCGP-UHFFFAOYSA-N
XLogP3.29
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
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
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
3-(2,5-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
CID 25252656
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide
CID 26326986
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-methoxyphenyl)-N-methyl-5-(tetrazol-1-yl)benzamide
CID 42248350
ethyl 3-[[3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 56858702
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(2-methoxyphenyl)-5-(tetrazol-1-yl)phenyl]methanone
CID 42482154
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide (CID 25252950) is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide is COc1ccc(CNC(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is OQPPLMPHRZLCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-31-21-7-5-4-6-20(21)17-11-18(13-19(12-17)29-15-26-27-28-29)24(30)25-14-16-8-9-22(32-2)23(10-16)33-3/h4-13,15H,14H2,1-3H3,(H,25,30).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25252950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).