N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C13H25N3O2 — CID 119508806

IUPACN-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCNCCNC(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C13H25N3O2/c1-4-14-7-8-15-13(18)12(10(2)3)16-9-5-6-11(16)17/h10,12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyBJWNVEBQDFDWNE-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.36
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 119508806) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID119508806
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCNCCNC(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C13H25N3O2/c1-4-14-7-8-15-13(18)12(10(2)3)16-9-5-6-11(16)17/h10,12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyBJWNVEBQDFDWNE-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95352824
(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817439
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817440

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 119508806) is N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CCNCCNC(=O)C(C(C)C)N1CCCC1=O.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is BJWNVEBQDFDWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-14-7-8-15-13(18)12(10(2)3)16-9-5-6-11(16)17/h10,12,14H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 119508806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).