N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide

C17H24N2O3 — CID 3297069

IUPACN-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CC=CCC2C1=O)NCC1CCCCC1
InChIInChI=1S/C17H24N2O3/c20-15(18-10-12-6-2-1-3-7-12)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)
InChIKeyDJBZEOOJDOOIHU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.63
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide

N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide (PubChem CID 3297069) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
PubChem CID3297069
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CC=CCC2C1=O)NCC1CCCCC1
InChIInChI=1S/C17H24N2O3/c20-15(18-10-12-6-2-1-3-7-12)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)
InChIKeyDJBZEOOJDOOIHU-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide (CID 3297069) is N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide is O=C(CN1C(=O)C2CC=CCC2C1=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide?
The InChIKey is DJBZEOOJDOOIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-15(18-10-12-6-2-1-3-7-12)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-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide?
N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide is sourced from PubChem (CID 3297069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).