N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide

C28H47N5O — CID 10672037

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide
SMILESCCCCCCCCCCCCn1nnc(CCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C28H47N5O/c1-6-7-8-9-10-11-12-13-14-15-21-33-31-26(30-32-33)19-20-27(34)29-28-24(22(2)3)17-16-18-25(28)23(4)5/h16-18,22-23H,6-15,19-21H2,1-5H3,(H,29,34)
InChIKeyQQCBPDUYZUKFPM-UHFFFAOYSA-N
MW469.72 g/mol
LogP7.41
Rot. Bonds17

About N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide

N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide (PubChem CID 10672037) has the molecular formula C28H47N5O and a molecular weight of 469.72 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide
PubChem CID10672037
Molecular FormulaC28H47N5O
Molecular Weight469.72 g/mol
Exact Mass469.38
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide
SMILESCCCCCCCCCCCCn1nnc(CCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C28H47N5O/c1-6-7-8-9-10-11-12-13-14-15-21-33-31-26(30-32-33)19-20-27(34)29-28-24(22(2)3)17-16-18-25(28)23(4)5/h16-18,22-23H,6-15,19-21H2,1-5H3,(H,29,34)
InChIKeyQQCBPDUYZUKFPM-UHFFFAOYSA-N
XLogP7.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.72
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-Difluoro-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-2-phenyl-acetamide
CID 9805324
N-(2,6-Diisopropyl-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-acetamide
CID 9868635
N-(2,6-Diisopropyl-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-2-phenyl-acetamide
CID 9958705
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-tetrazol-2-yl)-2-phenyl-acetamide
CID 9984522
2-(2-Dodecyl-2H-tetrazol-5-yl)-2,N-diphenyl-acetamide
CID 10182233
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-tetrazol-2-yl)-acetamide
CID 10599875
2-Dodecyl-2H-tetrazole-5-carboxylic acid (2,6-diisopropyl-phenyl)-amide
CID 10765624
N-(2,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 673021
2-(5-phenyl-2H-tetrazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 712695
N-(2,6-Diisopropyl-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-2-(1H-tetrazol-5-yl)-acetamide
CID 10577977
2-Cyano-N-(2,6-diisopropyl-phenyl)-2-(2-dodecyl-2H-tetrazol-5-yl)-acetamide
CID 10790899
(+/-)-N-[2,6-Bis(1-methylethyl)phenyl]-2-dodecyl-alpha-fluoro-alpha-phenyl-2H-tetrazole-5-acetamide
CID 9807593

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide (CID 10672037) is N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide is CCCCCCCCCCCCn1nnc(CCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide?
The InChIKey is QQCBPDUYZUKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N5O/c1-6-7-8-9-10-11-12-13-14-15-21-33-31-26(30-32-33)19-20-27(34)29-28-24(22(2)3)17-16-18-25(28)23(4)5/h16-18,22-23H,6-15,19-21H2,1-5H3,(H,29,34).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide has a molecular weight of 469.72 g/mol, XLogP of 7.41, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyltetrazol-5-yl)propanamide is sourced from PubChem (CID 10672037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).