2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide

C22H29N3O4 — CID 55612174

IUPAC2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCOCC1
InChIInChI=1S/C22H29N3O4/c1-15(24-9-11-29-12-10-24)14-23-20(26)16-7-8-18-19(13-16)22(28)25(21(18)27)17-5-3-2-4-6-17/h7-8,13,15,17H,2-6,9-12,14H2,1H3,(H,23,26)
InChIKeyPJAXFXIPFNDUHW-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.07
Rot. Bonds5

About 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55612174) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55612174
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCOCC1
InChIInChI=1S/C22H29N3O4/c1-15(24-9-11-29-12-10-24)14-23-20(26)16-7-8-18-19(13-16)22(28)25(21(18)27)17-5-3-2-4-6-17/h7-8,13,15,17H,2-6,9-12,14H2,1H3,(H,23,26)
InChIKeyPJAXFXIPFNDUHW-UHFFFAOYSA-N
XLogP2.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117
2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
CID 26911738
2-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108538044
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 55612174) is 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide is CC(CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCOCC1.
What is the InChIKey of 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PJAXFXIPFNDUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15(24-9-11-29-12-10-24)14-23-20(26)16-7-8-18-19(13-16)22(28)25(21(18)27)17-5-3-2-4-6-17/h7-8,13,15,17H,2-6,9-12,14H2,1H3,(H,23,26).
What are the key properties of 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55612174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).