6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one

C16H23N3O2 — CID 102863499

IUPAC6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(CCO)C3CCC3)ccc21
InChIInChI=1S/C16H23N3O2/c1-2-17-15-13-7-6-12(10-14(13)18-16(15)21)19(8-9-20)11-4-3-5-11/h6-7,10-11,15,17,20H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyHZWZRUAJDAVYNT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.64
Rot. Bonds6

About 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one

6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 102863499) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID102863499
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(CCO)C3CCC3)ccc21
InChIInChI=1S/C16H23N3O2/c1-2-17-15-13-7-6-12(10-14(13)18-16(15)21)19(8-9-20)11-4-3-5-11/h6-7,10-11,15,17,20H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyHZWZRUAJDAVYNT-UHFFFAOYSA-N
XLogP1.64
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586683
3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43586798
6-[cycloheptyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 43614152
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559
6-[2-(dimethylamino)ethoxy]-3-(ethylamino)-1,3-dihydroindol-2-one
CID 63369857
3-(ethylamino)-6-[furan-3-ylmethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 61422291
3-(ethylamino)-6-(oxan-4-yloxy)-1,3-dihydroindol-2-one
CID 63369981
6-[methyl(3-methylbutan-2-yl)amino]-3-(propylamino)-1,3-dihydroindol-2-one
CID 43586856
6-[cyclopentylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63632477
3-(ethylamino)-6-(4-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 61420962
6-[cyclopropylmethyl(ethyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 63957228
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one (CID 102863499) is 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N(CCO)C3CCC3)ccc21.
What is the InChIKey of 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is HZWZRUAJDAVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-17-15-13-7-6-12(10-14(13)18-16(15)21)19(8-9-20)11-4-3-5-11/h6-7,10-11,15,17,20H,2-5,8-9H2,1H3,(H,18,21).
What are the key properties of 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one?
6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(2-hydroxyethyl)amino]-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102863499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).