2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide

C25H29N3O4 — CID 56508671

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide
SMILESCC1CN(C(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C(C)C)CC(C)O1
InChIInChI=1S/C25H29N3O4/c1-15(2)22(27-13-16(3)32-17(4)14-27)23(29)26-18-8-7-9-19(12-18)28-24(30)20-10-5-6-11-21(20)25(28)31/h5-12,15-17,22H,13-14H2,1-4H3,(H,26,29)
InChIKeyYMSOJWYOHGCXGC-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.56
Rot. Bonds5

About 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide

2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide (PubChem CID 56508671) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide
PubChem CID56508671
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide
SMILESCC1CN(C(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C(C)C)CC(C)O1
InChIInChI=1S/C25H29N3O4/c1-15(2)22(27-13-16(3)32-17(4)14-27)23(29)26-18-8-7-9-19(12-18)28-24(30)20-10-5-6-11-21(20)25(28)31/h5-12,15-17,22H,13-14H2,1-4H3,(H,26,29)
InChIKeyYMSOJWYOHGCXGC-UHFFFAOYSA-N
XLogP3.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.56
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

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
CID 56507324
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
CID 113082971
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
CID 47145118
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide
CID 52511121
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822348
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822347
tert-butyl N-[(2R)-1-[3-(1,3-dioxoisoindol-2-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 56509967
N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 2787122

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide (CID 56508671) is 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide is CC1CN(C(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)C(C)C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide?
The InChIKey is YMSOJWYOHGCXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-15(2)22(27-13-16(3)32-17(4)14-27)23(29)26-18-8-7-9-19(12-18)28-24(30)20-10-5-6-11-21(20)25(28)31/h5-12,15-17,22H,13-14H2,1-4H3,(H,26,29).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide?
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide has a molecular weight of 435.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 56508671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).