3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

C19H26N4O2 — CID 136566196

IUPAC3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC2CC(C)(C)OC2(C)C)ccc1-n1cncn1
InChIInChI=1S/C19H26N4O2/c1-13-8-14(6-7-16(13)23-12-20-11-22-23)17(24)21-10-15-9-18(2,3)25-19(15,4)5/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,24)
InChIKeyAUVQMIDQQWWAIU-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.90
Rot. Bonds4

About 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 136566196) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID136566196
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCC2CC(C)(C)OC2(C)C)ccc1-n1cncn1
InChIInChI=1S/C19H26N4O2/c1-13-8-14(6-7-16(13)23-12-20-11-22-23)17(24)21-10-15-9-18(2,3)25-19(15,4)5/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,24)
InChIKeyAUVQMIDQQWWAIU-UHFFFAOYSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673
3-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119221375
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71991149
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 111481565
1-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119176697
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119459662
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998642
N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119592179
(2R)-4-methyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 119364166
3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 120601161
(2R)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467866
4-[methyl-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119173243

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 136566196) is 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(C(=O)NCC2CC(C)(C)OC2(C)C)ccc1-n1cncn1.
What is the InChIKey of 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is AUVQMIDQQWWAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-8-14(6-7-16(13)23-12-20-11-22-23)17(24)21-10-15-9-18(2,3)25-19(15,4)5/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,24).
What are the key properties of 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2,2,5,5-tetramethyloxolan-3-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 136566196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).