2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide

C17H29N3O2 — CID 56788956

IUPAC2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCC1CCCC(OCC(=O)N(Cc2cnn(C)c2)C(C)C)C1
InChIInChI=1S/C17H29N3O2/c1-13(2)20(11-15-9-18-19(4)10-15)17(21)12-22-16-7-5-6-14(3)8-16/h9-10,13-14,16H,5-8,11-12H2,1-4H3
InChIKeyYAZFPYPWLVLPNH-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.75
Rot. Bonds6

About 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide

2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 56788956) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
PubChem CID56788956
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCC1CCCC(OCC(=O)N(Cc2cnn(C)c2)C(C)C)C1
InChIInChI=1S/C17H29N3O2/c1-13(2)20(11-15-9-18-19(4)10-15)17(21)12-22-16-7-5-6-14(3)8-16/h9-10,13-14,16H,5-8,11-12H2,1-4H3
InChIKeyYAZFPYPWLVLPNH-UHFFFAOYSA-N
XLogP2.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide (CID 56788956) is 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide is CC1CCCC(OCC(=O)N(Cc2cnn(C)c2)C(C)C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is YAZFPYPWLVLPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)20(11-15-9-18-19(4)10-15)17(21)12-22-16-7-5-6-14(3)8-16/h9-10,13-14,16H,5-8,11-12H2,1-4H3.
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 307.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56788956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).