2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide

C12H24N2O — CID 104972087

IUPAC2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C12H24N2O/c1-3-10(4-2)12(15)14-9-7-11-6-5-8-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyOTFSILAEFCNRPX-LLVKDONJSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds6

About 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide

2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide (PubChem CID 104972087) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
PubChem CID104972087
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C12H24N2O/c1-3-10(4-2)12(15)14-9-7-11-6-5-8-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyOTFSILAEFCNRPX-LLVKDONJSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794049
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955284
2-phenyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104971899
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510207
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide (CID 104972087) is 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide is CCC(CC)C(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide?
The InChIKey is OTFSILAEFCNRPX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-10(4-2)12(15)14-9-7-11-6-5-8-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide?
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide is sourced from PubChem (CID 104972087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).