2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide

C16H28N2O3 — CID 71849453

IUPAC2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide
SMILESCCC(=O)N1CCC(NC(=O)COC2CCCC(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(20)18-8-7-13(10-18)17-15(19)11-21-14-6-4-5-12(2)9-14/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyYYZXGPVADYVMIW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

About 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide

2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide (PubChem CID 71849453) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide
PubChem CID71849453
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide
SMILESCCC(=O)N1CCC(NC(=O)COC2CCCC(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(20)18-8-7-13(10-18)17-15(19)11-21-14-6-4-5-12(2)9-14/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyYYZXGPVADYVMIW-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide (CID 71849453) is 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide is CCC(=O)N1CCC(NC(=O)COC2CCCC(C)C2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide?
The InChIKey is YYZXGPVADYVMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-16(20)18-8-7-13(10-18)17-15(19)11-21-14-6-4-5-12(2)9-14/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide?
2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 71849453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).