2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide

C19H30N4O — CID 121176751

IUPAC2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)C(Cn1nccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N4O/c1-13(2)17(12-23-20-3-4-21-23)22-18(24)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h3-4,13-17H,5-12H2,1-2H3,(H,22,24)
InChIKeyPRUBRRXYEHOAFN-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.03
Rot. Bonds6

About 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide

2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide (PubChem CID 121176751) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
PubChem CID121176751
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide
SMILESCC(C)C(Cn1nccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N4O/c1-13(2)17(12-23-20-3-4-21-23)22-18(24)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h3-4,13-17H,5-12H2,1-2H3,(H,22,24)
InChIKeyPRUBRRXYEHOAFN-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide (CID 121176751) is 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide is CC(C)C(Cn1nccn1)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
The InChIKey is PRUBRRXYEHOAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-13(2)17(12-23-20-3-4-21-23)22-18(24)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h3-4,13-17H,5-12H2,1-2H3,(H,22,24).
What are the key properties of 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide?
2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide has a molecular weight of 330.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 121176751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).