ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide

C16H36N2O2 — CID 169228895

IUPACethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide
SMILESCC.CC.CCCN(C)C(=O)CCN1CCC[C@H]1CO
InChIInChI=1S/C12H24N2O2.2C2H6/c1-3-7-13(2)12(16)6-9-14-8-4-5-11(14)10-15;2*1-2/h11,15H,3-10H2,1-2H3;2*1-2H3/t11-;;/m0../s1
InChIKeyLVRKCEVSWAPIPB-IDMXKUIJSA-N
MW288.48 g/mol
LogP2.75
Rot. Bonds6

About ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide

ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide (PubChem CID 169228895) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide.

Molecular Properties

Compound Nameethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide
PubChem CID169228895
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Nameethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide
SMILESCC.CC.CCCN(C)C(=O)CCN1CCC[C@H]1CO
InChIInChI=1S/C12H24N2O2.2C2H6/c1-3-7-13(2)12(16)6-9-14-8-4-5-11(14)10-15;2*1-2/h11,15H,3-10H2,1-2H3;2*1-2H3/t11-;;/m0../s1
InChIKeyLVRKCEVSWAPIPB-IDMXKUIJSA-N
XLogP2.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide?
The IUPAC name of ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide (CID 169228895) is ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide.
What is the SMILES notation for ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide?
The canonical SMILES for ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide is CC.CC.CCCN(C)C(=O)CCN1CCC[C@H]1CO.
What is the InChIKey of ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide?
The InChIKey is LVRKCEVSWAPIPB-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H24N2O2.2C2H6/c1-3-7-13(2)12(16)6-9-14-8-4-5-11(14)10-15;2*1-2/h11,15H,3-10H2,1-2H3;2*1-2H3/t11-;;/m0../s1.
What are the key properties of ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide?
ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide has a molecular weight of 288.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-propylpropanamide is sourced from PubChem (CID 169228895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).