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

C25H25N5O4 — CID 25327818

IUPACN-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)cc(-n3cnnn3)c2)c(OC)c1OC
InChIInChI=1S/C25H25N5O4/c1-29(15-17-8-6-5-7-9-17)25(31)19-12-18(13-20(14-19)30-16-26-27-28-30)21-10-11-22(32-2)24(34-4)23(21)33-3/h5-14,16H,15H2,1-4H3
InChIKeyPDWGASHEMOHYPC-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.63
Rot. Bonds8

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

N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide (PubChem CID 25327818) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
PubChem CID25327818
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)cc(-n3cnnn3)c2)c(OC)c1OC
InChIInChI=1S/C25H25N5O4/c1-29(15-17-8-6-5-7-9-17)25(31)19-12-18(13-20(14-19)30-16-26-27-28-30)21-10-11-22(32-2)24(34-4)23(21)33-3/h5-14,16H,15H2,1-4H3
InChIKeyPDWGASHEMOHYPC-UHFFFAOYSA-N
XLogP3.63
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-methoxyphenyl)-N-methyl-5-(tetrazol-1-yl)benzamide
CID 42248350
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
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylsulfanylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252658
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
The IUPAC name of N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide (CID 25327818) is N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide is COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)cc(-n3cnnn3)c2)c(OC)c1OC.
What is the InChIKey of N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
The InChIKey is PDWGASHEMOHYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-29(15-17-8-6-5-7-9-17)25(31)19-12-18(13-20(14-19)30-16-26-27-28-30)21-10-11-22(32-2)24(34-4)23(21)33-3/h5-14,16H,15H2,1-4H3.
What are the key properties of N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide?
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide has a molecular weight of 459.51 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide is sourced from PubChem (CID 25327818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).