2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide

C20H24N2O4 — CID 2936288

IUPAC2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H24N2O4/c23-18(21-12-15-7-4-10-26-15)13-8-9-16-17(11-13)20(25)22(19(16)24)14-5-2-1-3-6-14/h8-9,11,14-15H,1-7,10,12H2,(H,21,23)
InChIKeyRCMZOMBKYRLDEW-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.52
Rot. Bonds4

About 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide

2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 2936288) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
PubChem CID2936288
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H24N2O4/c23-18(21-12-15-7-4-10-26-15)13-8-9-16-17(11-13)20(25)22(19(16)24)14-5-2-1-3-6-14/h8-9,11,14-15H,1-7,10,12H2,(H,21,23)
InChIKeyRCMZOMBKYRLDEW-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)isoindoline-4-carboxamide
CID 20855922
2-(Oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2883188
(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid 1-cyclohexylcarbamoyl-ethyl ester
CID 6487552
ethyl 3-(4-methylphenyl)-3-{[(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-4-yl)carbonyl]amino}propanoate
CID 16193625
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 44480181
N-tert-butyl-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 839422
N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 976512
N-cyclohexyl-2-methyl-1,3-dioxo-5-isoindolinecarboxamide
CID 976814
N-cyclohexyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 1332678
2,6-bis(tetrahydrofuran-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
CID 2943525
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2953906
2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 2965911

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide (CID 2936288) is 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide is O=C(NCC1CCCO1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is RCMZOMBKYRLDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-18(21-12-15-7-4-10-26-15)13-8-9-16-17(11-13)20(25)22(19(16)24)14-5-2-1-3-6-14/h8-9,11,14-15H,1-7,10,12H2,(H,21,23).
What are the key properties of 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2936288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).