N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C17H28N2O3 — CID 95600891

IUPACN-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C17H28N2O3/c1-17(2,3)12-6-4-5-7-13(12)18-14(20)10-11-19-15(21)8-9-16(19)22/h12-13H,4-11H2,1-3H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyHXBDWWHHDUWLIJ-STQMWFEESA-N
MW308.42 g/mol
LogP2.25
Rot. Bonds4

About N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 95600891) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID95600891
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C17H28N2O3/c1-17(2,3)12-6-4-5-7-13(12)18-14(20)10-11-19-15(21)8-9-16(19)22/h12-13H,4-11H2,1-3H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyHXBDWWHHDUWLIJ-STQMWFEESA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.25
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 N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 95600891) is N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is HXBDWWHHDUWLIJ-STQMWFEESA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,3)12-6-4-5-7-13(12)18-14(20)10-11-19-15(21)8-9-16(19)22/h12-13H,4-11H2,1-3H3,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 308.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-tert-butylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 95600891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).