N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide

C17H24N2O3 — CID 6463520

IUPACN-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)C2CC=CCC2C1=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c20-15(18-12-6-2-1-3-7-12)10-11-19-16(21)13-8-4-5-9-14(13)17(19)22/h4-5,12-14H,1-3,6-11H2,(H,18,20)
InChIKeyINLDBRIWVJVDJZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.78
Rot. Bonds4

About N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide

N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide (PubChem CID 6463520) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
PubChem CID6463520
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)C2CC=CCC2C1=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c20-15(18-12-6-2-1-3-7-12)10-11-19-16(21)13-8-4-5-9-14(13)17(19)22/h4-5,12-14H,1-3,6-11H2,(H,18,20)
InChIKeyINLDBRIWVJVDJZ-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide (CID 6463520) is N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide is O=C(CCN1C(=O)C2CC=CCC2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
The InChIKey is INLDBRIWVJVDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-15(18-12-6-2-1-3-7-12)10-11-19-16(21)13-8-4-5-9-14(13)17(19)22/h4-5,12-14H,1-3,6-11H2,(H,18,20).
What are the key properties of N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide?
N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide is sourced from PubChem (CID 6463520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).