3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide

C16H29N3O3 — CID 75513870

IUPAC3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)NC2CCCCC2C(=O)NC)C1
InChIInChI=1S/C16H29N3O3/c1-3-22-11-12-8-9-19(10-12)16(21)18-14-7-5-4-6-13(14)15(20)17-2/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyHLDLZGHDPAOPFK-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.36
Rot. Bonds5

About 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide

3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 75513870) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide
PubChem CID75513870
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)NC2CCCCC2C(=O)NC)C1
InChIInChI=1S/C16H29N3O3/c1-3-22-11-12-8-9-19(10-12)16(21)18-14-7-5-4-6-13(14)15(20)17-2/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyHLDLZGHDPAOPFK-UHFFFAOYSA-N
XLogP1.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide (CID 75513870) is 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide is CCOCC1CCN(C(=O)NC2CCCCC2C(=O)NC)C1.
What is the InChIKey of 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is HLDLZGHDPAOPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-3-22-11-12-8-9-19(10-12)16(21)18-14-7-5-4-6-13(14)15(20)17-2/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide?
3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[2-(methylcarbamoyl)cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75513870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).