2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

C17H30N4O — CID 136560299

IUPAC2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCNC(=O)CC2CCCCC2C)n(C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)17-19-15(21(4)20-17)9-10-18-16(22)11-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,18,22)
InChIKeyUKYURFUOESENJV-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 136560299) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID136560299
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCNC(=O)CC2CCCCC2C)n(C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)17-19-15(21(4)20-17)9-10-18-16(22)11-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,18,22)
InChIKeyUKYURFUOESENJV-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 136560299) is 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is CC(C)c1nc(CCNC(=O)CC2CCCCC2C)n(C)n1.
What is the InChIKey of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is UKYURFUOESENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-12(2)17-19-15(21(4)20-17)9-10-18-16(22)11-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 136560299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).