N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide

C20H22N4O2 — CID 4189088

IUPACN-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)18-13-21-23-24(18)16-10-8-15(9-11-16)22-19(25)14-6-5-7-17(12-14)26-4/h5-13H,1-4H3,(H,22,25)
InChIKeySBRCGIPFWNUALP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.83
Rot. Bonds4

About N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide

N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 4189088) 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]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
PubChem CID4189088
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)c1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)18-13-21-23-24(18)16-10-8-15(9-11-16)22-19(25)14-6-5-7-17(12-14)26-4/h5-13H,1-4H3,(H,22,25)
InChIKeySBRCGIPFWNUALP-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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Related Compounds

N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide
CID 44218488
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-3-methoxybenzamide
CID 53379044
N-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3244504
3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 3288452
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-methoxybenzamide
CID 4302061
(2E)-3-(3,4-Dimethoxyphenyl)-N-[4-(5-phenyl-1H-1,2,3-triazol-1-YL)phenyl]prop-2-enamide
CID 5841200
3-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylpropan-1-one
CID 46890309
1-(3-methoxyphenyl)-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one
CID 46890426
N-[2-[4-(4-methoxyphenyl)triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 145964790
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-4-methoxybenzamide
CID 4656417
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-ethoxybenzamide
CID 5187164

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide (CID 4189088) is N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-n3nncc3C(C)(C)C)cc2)c1.
What is the InChIKey of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is SBRCGIPFWNUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)18-13-21-23-24(18)16-10-8-15(9-11-16)22-19(25)14-6-5-7-17(12-14)26-4/h5-13H,1-4H3,(H,22,25).
What are the key properties of N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide?
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 4189088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).