6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide

C25H29N3O4 — CID 108754514

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O4/c29-23(26-20-11-9-19(10-12-20)18-27-14-16-32-17-15-27)8-2-1-5-13-28-24(30)21-6-3-4-7-22(21)25(28)31/h3-4,6-7,9-12H,1-2,5,8,13-18H2,(H,26,29)
InChIKeyHIHFMIKHEWTGHZ-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.31
Rot. Bonds9

About 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide (PubChem CID 108754514) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
PubChem CID108754514
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H29N3O4/c29-23(26-20-11-9-19(10-12-20)18-27-14-16-32-17-15-27)8-2-1-5-13-28-24(30)21-6-3-4-7-22(21)25(28)31/h3-4,6-7,9-12H,1-2,5,8,13-18H2,(H,26,29)
InChIKeyHIHFMIKHEWTGHZ-UHFFFAOYSA-N
XLogP3.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763424
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 47776606
2-[11-(4-benzylpiperazin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 3365710
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122297382

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide (CID 108754514) is 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide?
The InChIKey is HIHFMIKHEWTGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c29-23(26-20-11-9-19(10-12-20)18-27-14-16-32-17-15-27)8-2-1-5-13-28-24(30)21-6-3-4-7-22(21)25(28)31/h3-4,6-7,9-12H,1-2,5,8,13-18H2,(H,26,29).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide has a molecular weight of 435.52 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide is sourced from PubChem (CID 108754514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).