N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide

C15H27N3O3 — CID 115356356

IUPACN-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide
SMILESCCC(CC)N1C(=O)CC(NCC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C15H27N3O3/c1-6-10(7-2)18-13(20)8-11(14(18)21)16-9-12(19)17-15(3,4)5/h10-11,16H,6-9H2,1-5H3,(H,17,19)
InChIKeyFHXVTKDHMRPFBZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.81
Rot. Bonds6

About N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide

N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide (PubChem CID 115356356) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide
PubChem CID115356356
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide
SMILESCCC(CC)N1C(=O)CC(NCC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C15H27N3O3/c1-6-10(7-2)18-13(20)8-11(14(18)21)16-9-12(19)17-15(3,4)5/h10-11,16H,6-9H2,1-5H3,(H,17,19)
InChIKeyFHXVTKDHMRPFBZ-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 43638643
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
CID 43638073
tert-butyl N-[2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 104932989
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638681
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637991
3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 114466994
1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284447
3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637986
3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 64529830
3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 106397757

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide (CID 115356356) is N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide is CCC(CC)N1C(=O)CC(NCC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide?
The InChIKey is FHXVTKDHMRPFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-6-10(7-2)18-13(20)8-11(14(18)21)16-9-12(19)17-15(3,4)5/h10-11,16H,6-9H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide?
N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide has a molecular weight of 297.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 115356356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).