3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide

C17H30N2O3 — CID 95628431

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide
SMILESCC(C)CC[C@H](NC(=O)CCN1C(=O)CCC1=O)C(C)(C)C
InChIInChI=1S/C17H30N2O3/c1-12(2)6-7-13(17(3,4)5)18-14(20)10-11-19-15(21)8-9-16(19)22/h12-13H,6-11H2,1-5H3,(H,18,20)/t13-/m0/s1
InChIKeyKQMHAXYQUWRZDL-ZDUSSCGKSA-N
MW310.44 g/mol
LogP2.49
Rot. Bonds7

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide (PubChem CID 95628431) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide
PubChem CID95628431
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide
SMILESCC(C)CC[C@H](NC(=O)CCN1C(=O)CCC1=O)C(C)(C)C
InChIInChI=1S/C17H30N2O3/c1-12(2)6-7-13(17(3,4)5)18-14(20)10-11-19-15(21)8-9-16(19)22/h12-13H,6-11H2,1-5H3,(H,18,20)/t13-/m0/s1
InChIKeyKQMHAXYQUWRZDL-ZDUSSCGKSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide (CID 95628431) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide is CC(C)CC[C@H](NC(=O)CCN1C(=O)CCC1=O)C(C)(C)C.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide?
The InChIKey is KQMHAXYQUWRZDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12(2)6-7-13(17(3,4)5)18-14(20)10-11-19-15(21)8-9-16(19)22/h12-13H,6-11H2,1-5H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide has a molecular weight of 310.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide is sourced from PubChem (CID 95628431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).