propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate

C17H28N2O4 — CID 143315084

IUPACpropan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)OC(=O)NC(C(=O)N1CCCC1C=O)C1CCCCC1
InChIInChI=1S/C17H28N2O4/c1-12(2)23-17(22)18-15(13-7-4-3-5-8-13)16(21)19-10-6-9-14(19)11-20/h11-15H,3-10H2,1-2H3,(H,18,22)
InChIKeyFLMYOMLSGAXFFR-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.26
Rot. Bonds5

About propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate

propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate (PubChem CID 143315084) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate
PubChem CID143315084
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Namepropan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)OC(=O)NC(C(=O)N1CCCC1C=O)C1CCCCC1
InChIInChI=1S/C17H28N2O4/c1-12(2)23-17(22)18-15(13-7-4-3-5-8-13)16(21)19-10-6-9-14(19)11-20/h11-15H,3-10H2,1-2H3,(H,18,22)
InChIKeyFLMYOMLSGAXFFR-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate (CID 143315084) is propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate is CC(C)OC(=O)NC(C(=O)N1CCCC1C=O)C1CCCCC1.
What is the InChIKey of propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is FLMYOMLSGAXFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(2)23-17(22)18-15(13-7-4-3-5-8-13)16(21)19-10-6-9-14(19)11-20/h11-15H,3-10H2,1-2H3,(H,18,22).
What are the key properties of propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate?
propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 143315084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).