ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate

C16H22N2O3 — CID 82351940

IUPACethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-3-17-13(10-16(20)21-4-2)8-11-5-6-14-12(7-11)9-15(19)18-14/h5-7,13,17H,3-4,8-10H2,1-2H3,(H,18,19)
InChIKeyQBWYZUQOOLDMAX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.65
Rot. Bonds7

About ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate

ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate (PubChem CID 82351940) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
PubChem CID82351940
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
SMILESCCNC(CC(=O)OCC)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-3-17-13(10-16(20)21-4-2)8-11-5-6-14-12(7-11)9-15(19)18-14/h5-7,13,17H,3-4,8-10H2,1-2H3,(H,18,19)
InChIKeyQBWYZUQOOLDMAX-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
CID 82351733
3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82351123
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
CID 82351797
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121
ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
CID 110768127
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
The IUPAC name of ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate (CID 82351940) is ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
The canonical SMILES for ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate is CCNC(CC(=O)OCC)Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
The InChIKey is QBWYZUQOOLDMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-17-13(10-16(20)21-4-2)8-11-5-6-14-12(7-11)9-15(19)18-14/h5-7,13,17H,3-4,8-10H2,1-2H3,(H,18,19).
What are the key properties of ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate?
ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate has a molecular weight of 290.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate is sourced from PubChem (CID 82351940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).