N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide

C20H22N4O2 — CID 4656417

IUPACN-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)18-13-21-23-24(18)16-9-7-15(8-10-16)22-19(25)14-5-11-17(26-4)12-6-14/h5-13H,1-4H3,(H,22,25)
InChIKeyWNDSMKUDSOGQMQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.83
Rot. Bonds4

About N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide

N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide (PubChem CID 4656417) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide
PubChem CID4656417
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)18-13-21-23-24(18)16-9-7-15(8-10-16)22-19(25)14-5-11-17(26-4)12-6-14/h5-13H,1-4H3,(H,22,25)
InChIKeyWNDSMKUDSOGQMQ-UHFFFAOYSA-N
XLogP3.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide (CID 4656417) is N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide?
The InChIKey is WNDSMKUDSOGQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)18-13-21-23-24(18)16-9-7-15(8-10-16)22-19(25)14-5-11-17(26-4)12-6-14/h5-13H,1-4H3,(H,22,25).
What are the key properties of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide?
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 4656417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).