3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide

C18H19N5O4 — CID 645959

IUPAC3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-11-7-13(5-6-14(11)23-10-19-21-22-23)20-18(24)12-8-15(25-2)17(27-4)16(9-12)26-3/h5-10H,1-4H3,(H,20,24)
InChIKeySAAQMPYIGBHQIA-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.25
Rot. Bonds6

About 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide

3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 645959) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID645959
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-11-7-13(5-6-14(11)23-10-19-21-22-23)20-18(24)12-8-15(25-2)17(27-4)16(9-12)26-3/h5-10H,1-4H3,(H,20,24)
InChIKeySAAQMPYIGBHQIA-UHFFFAOYSA-N
XLogP2.25
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[5-Amino-3-(4-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708605
[5-Amino-3-(3,4-dimethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708607
[5-Amino-3-(4-ethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708608
[5-Amino-3-(3-methoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708612
3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
CID 665789
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-3,4,5-trimethoxy-benzamide
CID 646773
3,5-Dimethoxy-N-(3-methyl-4-tetrazol-1-yl-phenyl)-benzamide
CID 653969
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 25162346
(5-Amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 118708603
[5-Amino-3-(4-fluoroanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708604

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide (CID 645959) is 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is SAAQMPYIGBHQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-11-7-13(5-6-14(11)23-10-19-21-22-23)20-18(24)12-8-15(25-2)17(27-4)16(9-12)26-3/h5-10H,1-4H3,(H,20,24).
What are the key properties of 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 369.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 645959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).