2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione

C24H28N2O4 — CID 10070029

IUPAC2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione
SMILESCCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
InChIInChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
InChIKeyUWBMUVYDKVGMFO-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.40
Rot. Bonds8

About 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione

2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione (PubChem CID 10070029) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione
PubChem CID10070029
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione
SMILESCCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
InChIInChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
InChIKeyUWBMUVYDKVGMFO-UHFFFAOYSA-N
XLogP3.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
CID 1554692
4-fluoro-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10319624
2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10342423
2-[2-(3-isopropoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1262692
2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-[2-(4-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 972604
2-[2-(4-methoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 4367024
2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl}-isoindole-1,3-dione; hydrochloride
CID 9977937
3-[N-Propyl-N-(4-phthalimidobutyl)amino]-5-methoxychroman
CID 10251673
N-[3-(2-(morpholin-4-yl)-4-oxo-4H-chromen-7-yloxy)propyl]phthalimide
CID 11676414
4-methyl-2-oxo-2H-chromen-7-yl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 1184687
2-(2-methyl-4-oxo-7-propoxy-4H-chromen-3-yl)-1H-isoindole-1,3(2H)-dione
CID 2208919

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione (CID 10070029) is 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione is CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1.
What is the InChIKey of 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione?
The InChIKey is UWBMUVYDKVGMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3.
What are the key properties of 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione?
2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione has a molecular weight of 408.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 10070029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).