2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide

C26H43N5O4 — CID 10163395

IUPAC2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCCCCCCCCCCCCn1nnc(C(C)(C)C(=O)Nc2c(OC)cc(OC)cc2OC)n1
InChIInChI=1S/C26H43N5O4/c1-7-8-9-10-11-12-13-14-15-16-17-31-29-24(28-30-31)26(2,3)25(32)27-23-21(34-5)18-20(33-4)19-22(23)35-6/h18-19H,7-17H2,1-6H3,(H,27,32)
InChIKeyGMPPOEJQKYNWMH-UHFFFAOYSA-N
MW489.66 g/mol
LogP5.54
Rot. Bonds17

About 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide

2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 10163395) has the molecular formula C26H43N5O4 and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID10163395
Molecular FormulaC26H43N5O4
Molecular Weight489.66 g/mol
Exact Mass489.33
IUPAC Name2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCCCCCCCCCCCCn1nnc(C(C)(C)C(=O)Nc2c(OC)cc(OC)cc2OC)n1
InChIInChI=1S/C26H43N5O4/c1-7-8-9-10-11-12-13-14-15-16-17-31-29-24(28-30-31)26(2,3)25(32)27-23-21(34-5)18-20(33-4)19-22(23)35-6/h18-19H,7-17H2,1-6H3,(H,27,32)
InChIKeyGMPPOEJQKYNWMH-UHFFFAOYSA-N
XLogP5.54
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 55.54
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-bis(methylsulfonyl)-2-(2-tridecyltetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 142649569
2-dodecyl-N-(2,4,6-trimethoxyphenyl)tetrazole-5-carboxamide
CID 11797683
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
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-(5-dodecyltetrazol-2-yl)-2-(2-ethylphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 57152372
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
N-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-2,2-dimethyldodecanamide
CID 153288461
2-(4-tert-butylphenyl)sulfanyl-N-(2,4,6-trimethoxyphenyl)octanamide
CID 14995488
5-(1,1,2,2,2-pentachloroethyl)-2-pentyltetrazole
CID 69032094
5-bromo-N-(2-butyltetrazol-5-yl)-2-methoxybenzamide
CID 3996264

Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide (CID 10163395) is 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide is CCCCCCCCCCCCn1nnc(C(C)(C)C(=O)Nc2c(OC)cc(OC)cc2OC)n1.
What is the InChIKey of 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is GMPPOEJQKYNWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O4/c1-7-8-9-10-11-12-13-14-15-16-17-31-29-24(28-30-31)26(2,3)25(32)27-23-21(34-5)18-20(33-4)19-22(23)35-6/h18-19H,7-17H2,1-6H3,(H,27,32).
What are the key properties of 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide?
2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 489.66 g/mol, XLogP of 5.54, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyltetrazol-5-yl)-2-methyl-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 10163395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).