3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione

C17H30N2O3 — CID 139516155

IUPAC3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C(=O)C(C)(C)NCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O3/c1-15(2,3)11-9-12(20)19(13(11)21)10-18-17(7,8)14(22)16(4,5)6/h11,18H,9-10H2,1-8H3
InChIKeyJCZQRXBUQNMTCV-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.35
Rot. Bonds4

About 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione

3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione (PubChem CID 139516155) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione
PubChem CID139516155
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C(=O)C(C)(C)NCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O3/c1-15(2,3)11-9-12(20)19(13(11)21)10-18-17(7,8)14(22)16(4,5)6/h11,18H,9-10H2,1-8H3
InChIKeyJCZQRXBUQNMTCV-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione (CID 139516155) is 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione is CC(C)(C)C(=O)C(C)(C)NCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione?
The InChIKey is JCZQRXBUQNMTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-15(2,3)11-9-12(20)19(13(11)21)10-18-17(7,8)14(22)16(4,5)6/h11,18H,9-10H2,1-8H3.
What are the key properties of 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione?
3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione has a molecular weight of 310.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[[(2,4,4-trimethyl-3-oxopentan-2-yl)amino]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 139516155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).