3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C19H21N5O4 — CID 55709495

IUPAC3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O4/c1-12(14-9-16(26-2)18(28-4)17(10-14)27-3)21-19(25)13-6-5-7-15(8-13)24-11-20-22-23-24/h5-12H,1-4H3,(H,21,25)
InChIKeyKANYQQFDIDKVKB-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.18
Rot. Bonds7

About 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 55709495) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID55709495
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1OC
InChIInChI=1S/C19H21N5O4/c1-12(14-9-16(26-2)18(28-4)17(10-14)27-3)21-19(25)13-6-5-7-15(8-13)24-11-20-22-23-24/h5-12H,1-4H3,(H,21,25)
InChIKeyKANYQQFDIDKVKB-UHFFFAOYSA-N
XLogP2.18
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
CID 46436898
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 30406600
3-bromo-4-ethoxy-5-methoxy-N'-[3-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 4850329
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 55709495) is 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(C(C)NC(=O)c2cccc(-n3cnnn3)c2)cc(OC)c1OC.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is KANYQQFDIDKVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-12(14-9-16(26-2)18(28-4)17(10-14)27-3)21-19(25)13-6-5-7-15(8-13)24-11-20-22-23-24/h5-12H,1-4H3,(H,21,25).
What are the key properties of 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 383.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55709495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).