N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide

C26H43N5O — CID 10765624

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide
SMILESCCCCCCCCCCCCn1nnc(C(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C26H43N5O/c1-6-7-8-9-10-11-12-13-14-15-19-31-29-25(28-30-31)26(32)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H,27,32)
InChIKeyIZRNNHZGLFZJGH-UHFFFAOYSA-N
MW441.66 g/mol
LogP7.09
Rot. Bonds15

About N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide (PubChem CID 10765624) has the molecular formula C26H43N5O and a molecular weight of 441.66 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide
PubChem CID10765624
Molecular FormulaC26H43N5O
Molecular Weight441.66 g/mol
Exact Mass441.35
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide
SMILESCCCCCCCCCCCCn1nnc(C(=O)Nc2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C26H43N5O/c1-6-7-8-9-10-11-12-13-14-15-19-31-29-25(28-30-31)26(32)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H,27,32)
InChIKeyIZRNNHZGLFZJGH-UHFFFAOYSA-N
XLogP7.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 57.09
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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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide (CID 10765624) is N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide is CCCCCCCCCCCCn1nnc(C(=O)Nc2c(C(C)C)cccc2C(C)C)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide?
The InChIKey is IZRNNHZGLFZJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O/c1-6-7-8-9-10-11-12-13-14-15-19-31-29-25(28-30-31)26(32)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H,27,32).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2-dodecyltetrazole-5-carboxamide has a molecular weight of 441.66 g/mol, XLogP of 7.09, 15 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]-2-dodecyltetrazole-5-carboxamide is sourced from PubChem (CID 10765624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).