3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide

C14H22N2O4 — CID 64869169

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H22N2O4/c17-11(6-9-16-12(18)4-5-13(16)19)15-10-14(20)7-2-1-3-8-14/h20H,1-10H2,(H,15,17)
InChIKeyOTTGTHHBTSUQPV-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.34
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64869169) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID64869169
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H22N2O4/c17-11(6-9-16-12(18)4-5-13(16)19)15-10-14(20)7-2-1-3-8-14/h20H,1-10H2,(H,15,17)
InChIKeyOTTGTHHBTSUQPV-UHFFFAOYSA-N
XLogP0.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
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-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 64869169) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide is O=C(CCN1C(=O)CCC1=O)NCC1(O)CCCCC1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is OTTGTHHBTSUQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-11(6-9-16-12(18)4-5-13(16)19)15-10-14(20)7-2-1-3-8-14/h20H,1-10H2,(H,15,17).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64869169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).