3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H26N4O4 — CID 167724272

IUPAC3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCCC(N)CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C19H26N4O4/c1-27-8-7-14(20)10-21-9-12-3-2-4-13-11-23(19(26)17(12)13)15-5-6-16(24)22-18(15)25/h2-4,14-15,21H,5-11,20H2,1H3,(H,22,24,25)
InChIKeyUULGSHSNRWDYSN-UHFFFAOYSA-N
MW374.44 g/mol
LogP-0.10
Rot. Bonds8

About 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167724272) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167724272
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOCCC(N)CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C19H26N4O4/c1-27-8-7-14(20)10-21-9-12-3-2-4-13-11-23(19(26)17(12)13)15-5-6-16(24)22-18(15)25/h2-4,14-15,21H,5-11,20H2,1H3,(H,22,24,25)
InChIKeyUULGSHSNRWDYSN-UHFFFAOYSA-N
XLogP-0.10
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[[[(2R)-2-aminobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721688
3-[4-[[(2-amino-4,4,4-trifluorobutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716609
3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735021
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733317
3-[4-[[[4-(aminomethyl)cyclohexyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722494
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736092
3-[4-[[(3-ethylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167720864
3-[4-[[(2-amino-2-methylbutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739062
3-[4-[[2-(2-aminophenoxy)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725069
3-[3-oxo-4-[(2-piperidin-4-yloxyethylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736328
3-[4-[[(3-amino-2,2-dimethylcyclobutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735757
3-[4-[[(8-amino-8-methylnonyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724734

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167724272) is 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COCCC(N)CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is UULGSHSNRWDYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-27-8-7-14(20)10-21-9-12-3-2-4-13-11-23(19(26)17(12)13)15-5-6-16(24)22-18(15)25/h2-4,14-15,21H,5-11,20H2,1H3,(H,22,24,25).
What are the key properties of 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 374.44 g/mol, XLogP of -0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167724272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).