3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one

C24H29N3O3 — CID 4315715

IUPAC3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1Nc1cccc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C24H29N3O3/c1-4-12-27-22(20-10-5-6-11-21(20)24(27)29)25-19-9-7-8-18(13-19)23(28)26-14-16(2)30-17(3)15-26/h5-11,13,16-17,22,25H,4,12,14-15H2,1-3H3
InChIKeyNZQDWXJPEBXNLQ-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.91
Rot. Bonds5

About 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one

3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one (PubChem CID 4315715) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one
PubChem CID4315715
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1Nc1cccc(C(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C24H29N3O3/c1-4-12-27-22(20-10-5-6-11-21(20)24(27)29)25-19-9-7-8-18(13-19)23(28)26-14-16(2)30-17(3)15-26/h5-11,13,16-17,22,25H,4,12,14-15H2,1-3H3
InChIKeyNZQDWXJPEBXNLQ-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one with MolForge

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Related Compounds

3-[3-(4-acetylpiperazine-1-carbonyl)anilino]-2-propyl-3H-isoindol-1-one
CID 3944177
(3S)-3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-propyl-3H-isoindol-1-one
CID 1196795
3-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 3979089
(3S)-3-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one
CID 1196230
2-(3-methoxypropyl)-3-[3-(pyrrolidine-1-carbonyl)anilino]-3H-isoindol-1-one
CID 3944316
N-benzyl-3-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-(2-phenylethyl)benzamide
CID 4535326
3-[3-(4-benzylpiperidine-1-carbonyl)anilino]-2-(3-ethoxypropyl)-3H-isoindol-1-one
CID 42766347
ethyl 1-[3-[[2-(3-methoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzoyl]piperidine-3-carboxylate
CID 3582866
3-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one
CID 42663413
N-ethoxy-3-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 5237810
4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
CID 42765807
3-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propan-2-ylbenzamide
CID 4260324

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one?
The IUPAC name of 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one (CID 4315715) is 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one.
What is the SMILES notation for 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one?
The canonical SMILES for 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one is CCCN1C(=O)c2ccccc2C1Nc1cccc(C(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one?
The InChIKey is NZQDWXJPEBXNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-12-27-22(20-10-5-6-11-21(20)24(27)29)25-19-9-7-8-18(13-19)23(28)26-14-16(2)30-17(3)15-26/h5-11,13,16-17,22,25H,4,12,14-15H2,1-3H3.
What are the key properties of 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one?
3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one has a molecular weight of 407.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-propyl-3H-isoindol-1-one is sourced from PubChem (CID 4315715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).