4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

C16H22N4O2 — CID 121176647

IUPAC4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(Cn2nccn2)C(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-4-22-14-7-5-13(6-8-14)16(21)19-15(12(2)3)11-20-17-9-10-18-20/h5-10,12,15H,4,11H2,1-3H3,(H,19,21)
InChIKeyZQHBHQSETOWRGO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.13
Rot. Bonds7

About 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (PubChem CID 121176647) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
PubChem CID121176647
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(Cn2nccn2)C(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-4-22-14-7-5-13(6-8-14)16(21)19-15(12(2)3)11-20-17-9-10-18-20/h5-10,12,15H,4,11H2,1-3H3,(H,19,21)
InChIKeyZQHBHQSETOWRGO-UHFFFAOYSA-N
XLogP2.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176696
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 129417786
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
4-(imidazol-1-ylmethyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101685
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
3-methoxy-2-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]indazole-6-carboxamide
CID 121176734
methyl 2-[[3-methyl-1-(triazol-2-yl)butan-2-yl]carbamoyl]benzoate
CID 121176789
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (CID 121176647) is 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is CCOc1ccc(C(=O)NC(Cn2nccn2)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The InChIKey is ZQHBHQSETOWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-22-14-7-5-13(6-8-14)16(21)19-15(12(2)3)11-20-17-9-10-18-20/h5-10,12,15H,4,11H2,1-3H3,(H,19,21).
What are the key properties of 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide has a molecular weight of 302.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 121176647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).