N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide

C13H26N2O — CID 115650073

IUPACN-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
SMILESCCC(CC)CNC(=O)CCN1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(4-2)11-14-13(16)7-10-15-8-5-6-9-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyHVICSUBCNMCXPG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds7

About N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide

N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 115650073) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID115650073
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
SMILESCCC(CC)CNC(=O)CCN1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(4-2)11-14-13(16)7-10-15-8-5-6-9-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyHVICSUBCNMCXPG-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-1-yl-N-propylpropanamide
CID 110688262
N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
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CID 110688182
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
N'-butan-2-yl-3-piperidin-1-ylpropanehydrazide
CID 4143849
3-(1,4-diazepan-1-yl)-N-ethylpropanamide
CID 62324150
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CID 57093766
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
2-[3-(azepan-1-yl)propanoylamino]acetic acid
CID 52983762
ethyl 4-[3-(2-methylpropylamino)-3-oxopropyl]piperazine-1-carboxylate
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N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide (CID 115650073) is N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide is CCC(CC)CNC(=O)CCN1CCCC1.
What is the InChIKey of N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is HVICSUBCNMCXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12(4-2)11-14-13(16)7-10-15-8-5-6-9-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide?
N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 115650073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).