2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide

C16H28N2O3 — CID 71994591

IUPAC2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-14(21-12-7-5-6-11(2)10-12)15(19)17-13-8-9-18(3)16(13)20/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeySGRIZKDUGOAPQH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

About 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide

2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide (PubChem CID 71994591) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide
PubChem CID71994591
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NC1CCN(C)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-14(21-12-7-5-6-11(2)10-12)15(19)17-13-8-9-18(3)16(13)20/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeySGRIZKDUGOAPQH-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-methyl-2-oxopyrrolidin-3-yl)butanamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide (CID 71994591) is 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide is CCC(OC1CCCC(C)C1)C(=O)NC1CCN(C)C1=O.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide?
The InChIKey is SGRIZKDUGOAPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-14(21-12-7-5-6-11(2)10-12)15(19)17-13-8-9-18(3)16(13)20/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide?
2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide 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-methyl-2-oxopyrrolidin-3-yl)butanamide is sourced from PubChem (CID 71994591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).