N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide

C19H21N5O4 — CID 646773

IUPACN-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C19H21N5O4/c1-5-24-22-18(21-23-24)13-8-6-7-9-14(13)20-19(25)12-10-15(26-2)17(28-4)16(11-12)27-3/h6-11H,5H2,1-4H3,(H,20,25)
InChIKeyFEYIQDUSEQEAQQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide

N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 646773) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID646773
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C19H21N5O4/c1-5-24-22-18(21-23-24)13-8-6-7-9-14(13)20-19(25)12-10-15(26-2)17(28-4)16(11-12)27-3/h6-11H,5H2,1-4H3,(H,20,25)
InChIKeyFEYIQDUSEQEAQQ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 1378646
3,4,5-trimethoxy-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 1269291
Cyclohexanecarboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 1463733
2,2,2-Trifluoro-N-(2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-acetamide
CID 1463734
N-[2-(2-Carbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 1463747
N-[4-(trifluoromethoxy)phenyl]-2-[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetamide
CID 1520522
4-methoxy-N-[2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 45489602
3,4-dimethoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
CID 118737176
N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide
CID 118737177
3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
CID 118737178
Benzamide, 4-methoxy-N-[2-[2-(4-propylphenyl)-2H-tetrazol-5-yl]phenyl]-
CID 118737181

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide (CID 646773) is N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide is CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is FEYIQDUSEQEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-5-24-22-18(21-23-24)13-8-6-7-9-14(13)20-19(25)12-10-15(26-2)17(28-4)16(11-12)27-3/h6-11H,5H2,1-4H3,(H,20,25).
What are the key properties of N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide?
N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 383.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyltetrazol-5-yl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 646773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).