2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide

C20H37N3O2 — CID 166726660

IUPAC2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide
SMILESC=C1CC(C(C)(CC)CC)C(=O)N1CCCCNCC(=O)NCCC
InChIInChI=1S/C20H37N3O2/c1-6-11-22-18(24)15-21-12-9-10-13-23-16(4)14-17(19(23)25)20(5,7-2)8-3/h17,21H,4,6-15H2,1-3,5H3,(H,22,24)
InChIKeyCIKCUKLYVOFUIH-UHFFFAOYSA-N
MW351.54 g/mol
LogP3.07
Rot. Bonds12

About 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide

2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide (PubChem CID 166726660) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide
PubChem CID166726660
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide
SMILESC=C1CC(C(C)(CC)CC)C(=O)N1CCCCNCC(=O)NCCC
InChIInChI=1S/C20H37N3O2/c1-6-11-22-18(24)15-21-12-9-10-13-23-16(4)14-17(19(23)25)20(5,7-2)8-3/h17,21H,4,6-15H2,1-3,5H3,(H,22,24)
InChIKeyCIKCUKLYVOFUIH-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.07
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-Methyl-3-(2-methylpropyl)-2-oxo-3-(propen-2-yl)-1-pyrrolidineacetamide
CID 53731361
2-[3-(2-Methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide
CID 57059453
2-acetamido-N-tert-butyl-2-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]hex-5-enamide
CID 66835708
2-acetamido-N-tert-butyl-2-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]hex-5-enamide
CID 66835709
N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
CID 126560424
(2S)-N-(2-amino-2-oxoethyl)-2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butanoylamino]butanamide
CID 126589478
N-[7-[2-(2,4-dimethylhexan-3-yl)pyrrolidin-1-yl]-3-methyloct-7-en-4-yl]-2-(ethenylamino)-N,3-dimethylbutanamide
CID 132172402
3-[[2-[[2-[3-[5-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pent-1-en-2-ylamino]prop-1-en-2-ylamino]acetyl]amino]acetyl]amino]-N-(3-methylbutyl)propanamide
CID 135259419
N-[3-(13,13-dimethylpentadecylamino)propyl]-5-methylidenepyrrolidine-2-carboxamide
CID 138459913
N-[(2S)-1-[[2-(4-hydroxybutylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-6-[(3R)-5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]hexanamide
CID 139456267
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide;molecular hydrogen
CID 142558098
(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen
CID 142558366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide?
The IUPAC name of 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide (CID 166726660) is 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide.
What is the SMILES notation for 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide?
The canonical SMILES for 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide is C=C1CC(C(C)(CC)CC)C(=O)N1CCCCNCC(=O)NCCC.
What is the InChIKey of 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide?
The InChIKey is CIKCUKLYVOFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-6-11-22-18(24)15-21-12-9-10-13-23-16(4)14-17(19(23)25)20(5,7-2)8-3/h17,21H,4,6-15H2,1-3,5H3,(H,22,24).
What are the key properties of 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide?
2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide has a molecular weight of 351.54 g/mol, XLogP of 3.07, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methylidene-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]butylamino]-N-propylacetamide is sourced from PubChem (CID 166726660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).