2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide

C23H37N5O4 — CID 11797683

IUPAC2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide
SMILESCCCCCCCCCCCCn1nnc(C(=O)Nc2c(OC)cc(OC)cc2OC)n1
InChIInChI=1S/C23H37N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-28-26-22(25-27-28)23(29)24-21-19(31-3)16-18(30-2)17-20(21)32-4/h16-17H,5-15H2,1-4H3,(H,24,29)
InChIKeyDARMPLXRNYHLND-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.87
Rot. Bonds16

About 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide

2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide (PubChem CID 11797683) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide
PubChem CID11797683
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC Name2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide
SMILESCCCCCCCCCCCCn1nnc(C(=O)Nc2c(OC)cc(OC)cc2OC)n1
InChIInChI=1S/C23H37N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-28-26-22(25-27-28)23(29)24-21-19(31-3)16-18(30-2)17-20(21)32-4/h16-17H,5-15H2,1-4H3,(H,24,29)
InChIKeyDARMPLXRNYHLND-UHFFFAOYSA-N
XLogP4.87
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 10163395
2,2-bis(methylsulfonyl)-2-(2-tridecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 142649569
3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70116195
2-[4-(dimethylamino)phenyl]-2-(2-dodecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 10674764
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
2-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57152372
5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
CID 3996264
N-(3-butoxyphenyl)-2-methyltetrazole-5-carboxamide
CID 154844026
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051782

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide?
The IUPAC name of 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide (CID 11797683) is 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide.
What is the SMILES notation for 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide?
The canonical SMILES for 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide is CCCCCCCCCCCCn1nnc(C(=O)Nc2c(OC)cc(OC)cc2OC)n1.
What is the InChIKey of 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide?
The InChIKey is DARMPLXRNYHLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-28-26-22(25-27-28)23(29)24-21-19(31-3)16-18(30-2)17-20(21)32-4/h16-17H,5-15H2,1-4H3,(H,24,29).
What are the key properties of 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide?
2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.87, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide is sourced from PubChem (CID 11797683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).