N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide

C19H21N5O2 — CID 51049276

IUPACN-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)c(C)c1-n1cnnn1
InChIInChI=1S/C19H21N5O2/c1-13-8-9-16(18(14(13)2)24-12-21-22-23-24)19(25)20-11-10-15-6-4-5-7-17(15)26-3/h4-9,12H,10-11H2,1-3H3,(H,20,25)
InChIKeyAANAJKOOYYFJBK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide

N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide (PubChem CID 51049276) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
PubChem CID51049276
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(C)c(C)c1-n1cnnn1
InChIInChI=1S/C19H21N5O2/c1-13-8-9-16(18(14(13)2)24-12-21-22-23-24)19(25)20-11-10-15-6-4-5-7-17(15)26-3/h4-9,12H,10-11H2,1-3H3,(H,20,25)
InChIKeyAANAJKOOYYFJBK-UHFFFAOYSA-N
XLogP2.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
3,4-dimethyl-N-(2-pyrazol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 110204357
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 78779713
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27757163
ethyl 1-ethyl-4-[2-(2-methoxyphenyl)ethylcarbamoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 20879091
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide (CID 51049276) is N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide is COc1ccccc1CCNC(=O)c1ccc(C)c(C)c1-n1cnnn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The InChIKey is AANAJKOOYYFJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-8-9-16(18(14(13)2)24-12-21-22-23-24)19(25)20-11-10-15-6-4-5-7-17(15)26-3/h4-9,12H,10-11H2,1-3H3,(H,20,25).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).