5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one

C14H20N2O2 — CID 114990088

IUPAC5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
SMILESCCCCCNC1C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C14H20N2O2/c1-3-4-5-8-15-13-11-9-10(18-2)6-7-12(11)16-14(13)17/h6-7,9,13,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyCDPATRCHHHRJBX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.47
Rot. Bonds6

About 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one

5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one (PubChem CID 114990088) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
PubChem CID114990088
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
SMILESCCCCCNC1C(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C14H20N2O2/c1-3-4-5-8-15-13-11-9-10(18-2)6-7-12(11)16-14(13)17/h6-7,9,13,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyCDPATRCHHHRJBX-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 115002940
5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 114991944
5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 115002941
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
5-methoxy-3-(3-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990091
3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 114993784
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950
3-(4-aminobutylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 114996534
5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one
CID 43206912
3-(3-methoxypropylamino)-1,3-dihydroindol-2-one
CID 43205039
3-(2,4-dimethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43823453

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one (CID 114990088) is 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one is CCCCCNC1C(=O)Nc2ccc(OC)cc21.
What is the InChIKey of 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one?
The InChIKey is CDPATRCHHHRJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-5-8-15-13-11-9-10(18-2)6-7-12(11)16-14(13)17/h6-7,9,13,15H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one?
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114990088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).