N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide

C19H23N3O4 — CID 108873966

IUPACN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCOCC1
InChIInChI=1S/C19H23N3O4/c23-17-15-7-6-13(20-19(25)21-8-10-26-11-9-21)12-16(15)18(24)22(17)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,25)
InChIKeyUAPQKAQQDWKGND-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.48
Rot. Bonds2

About N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide

N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide (PubChem CID 108873966) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
PubChem CID108873966
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCOCC1
InChIInChI=1S/C19H23N3O4/c23-17-15-7-6-13(20-19(25)21-8-10-26-11-9-21)12-16(15)18(24)22(17)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,25)
InChIKeyUAPQKAQQDWKGND-UHFFFAOYSA-N
XLogP2.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.48
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

N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 24664341
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
(2-cyclohexyl-1,3-dioxoisoindol-5-yl)thiourea
CID 169358891
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 108873904
(2S)-N-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 118764186
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-hydroxypropyl)urea
CID 108874045
3-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 108874094
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-[4-(diethylamino)phenyl]urea
CID 108874139
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
methyl 3-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzoate
CID 108874216
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108873909
2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55612174

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide (CID 108873966) is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCOCC1.
What is the InChIKey of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
The InChIKey is UAPQKAQQDWKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17-15-7-6-13(20-19(25)21-8-10-26-11-9-21)12-16(15)18(24)22(17)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,25).
What are the key properties of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide?
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 108873966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).