3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide

C13H17N5O4 — CID 110720007

IUPAC3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2nn[nH]n2)cc(OC)c1OC
InChIInChI=1S/C13H17N5O4/c1-20-9-6-8(7-10(21-2)12(9)22-3)13(19)14-5-4-11-15-17-18-16-11/h6-7H,4-5H2,1-3H3,(H,14,19)(H,15,16,17,18)
InChIKeyIKPKCBMFPFNSHU-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.20
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide

3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 110720007) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID110720007
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2nn[nH]n2)cc(OC)c1OC
InChIInChI=1S/C13H17N5O4/c1-20-9-6-8(7-10(21-2)12(9)22-3)13(19)14-5-4-11-15-17-18-16-11/h6-7H,4-5H2,1-3H3,(H,14,19)(H,15,16,17,18)
InChIKeyIKPKCBMFPFNSHU-UHFFFAOYSA-N
XLogP0.20
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 92659644
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid
CID 166178543
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 110718742
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide (CID 110720007) is 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide is COc1cc(C(=O)NCCc2nn[nH]n2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is IKPKCBMFPFNSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c1-20-9-6-8(7-10(21-2)12(9)22-3)13(19)14-5-4-11-15-17-18-16-11/h6-7H,4-5H2,1-3H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 307.31 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110720007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).