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

C26H32N2O4 — CID 139959563

IUPAC2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
SMILESCCCN(CCCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
InChIInChI=1S/C26H32N2O4/c1-3-14-27(19-17-22-23(31-2)12-9-13-24(22)32-18-19)15-7-4-8-16-28-25(29)20-10-5-6-11-21(20)26(28)30/h5-6,9-13,19H,3-4,7-8,14-18H2,1-2H3
InChIKeyYHESATLTPPXUNZ-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.18
Rot. Bonds10

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

2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione (PubChem CID 139959563) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
PubChem CID139959563
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
SMILESCCCN(CCCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
InChIInChI=1S/C26H32N2O4/c1-3-14-27(19-17-22-23(31-2)12-9-13-24(22)32-18-19)15-7-4-8-16-28-25(29)20-10-5-6-11-21(20)26(28)30/h5-6,9-13,19H,3-4,7-8,14-18H2,1-2H3
InChIKeyYHESATLTPPXUNZ-UHFFFAOYSA-N
XLogP4.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

4-fluoro-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10319624
(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
CID 10563531
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 14330491
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl] 2,2-dimethylpropanoate;hydrobromide
CID 14330508
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
(3S)-N,N-dibenzyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 18739701
2-[4-[(8-methoxy-3,4-dihydro-1H-isochromen-4-yl)-propylamino]butyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 67822253
2-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]butyl]isoindole-1,3-dione
CID 18088542
(3S)-N,N-dibutyl-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 129411882
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
CID 18982031
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione (CID 139959563) is 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione is CCCN(CCCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1.
What is the InChIKey of 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione?
The InChIKey is YHESATLTPPXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-14-27(19-17-22-23(31-2)12-9-13-24(22)32-18-19)15-7-4-8-16-28-25(29)20-10-5-6-11-21(20)26(28)30/h5-6,9-13,19H,3-4,7-8,14-18H2,1-2H3.
What are the key properties of 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione?
2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione has a molecular weight of 436.55 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione is sourced from PubChem (CID 139959563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).