methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate

C16H22N2O3 — CID 43688975

IUPACmethyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C16H22N2O3/c1-9(2)7-13(16(20)21-4)17-14-11-8-10(3)5-6-12(11)18-15(14)19/h5-6,8-9,13-14,17H,7H2,1-4H3,(H,18,19)
InChIKeyZQKUDWBBCXGDSK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds5

About methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate

methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate (PubChem CID 43688975) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate
PubChem CID43688975
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C16H22N2O3/c1-9(2)7-13(16(20)21-4)17-14-11-8-10(3)5-6-12(11)18-15(14)19/h5-6,8-9,13-14,17H,7H2,1-4H3,(H,18,19)
InChIKeyZQKUDWBBCXGDSK-UHFFFAOYSA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate (CID 43688975) is methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate is COC(=O)C(CC(C)C)NC1C(=O)Nc2ccc(C)cc21.
What is the InChIKey of methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate?
The InChIKey is ZQKUDWBBCXGDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9(2)7-13(16(20)21-4)17-14-11-8-10(3)5-6-12(11)18-15(14)19/h5-6,8-9,13-14,17H,7H2,1-4H3,(H,18,19).
What are the key properties of methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate?
methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate has a molecular weight of 290.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate is sourced from PubChem (CID 43688975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).