methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate

C16H20N2O4 — CID 56645374

IUPACmethyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate
SMILESCOC(=O)CCN1CCc2cc(CC(C)=O)cc(C(N)=O)c21
InChIInChI=1S/C16H20N2O4/c1-10(19)7-11-8-12-3-5-18(6-4-14(20)22-2)15(12)13(9-11)16(17)21/h8-9H,3-7H2,1-2H3,(H2,17,21)
InChIKeyYALUNWFLVZHGDC-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.84
Rot. Bonds6

About methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate

methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate (PubChem CID 56645374) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate
PubChem CID56645374
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate
SMILESCOC(=O)CCN1CCc2cc(CC(C)=O)cc(C(N)=O)c21
InChIInChI=1S/C16H20N2O4/c1-10(19)7-11-8-12-3-5-18(6-4-14(20)22-2)15(12)13(9-11)16(17)21/h8-9H,3-7H2,1-2H3,(H2,17,21)
InChIKeyYALUNWFLVZHGDC-UHFFFAOYSA-N
XLogP0.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate?
The IUPAC name of methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate (CID 56645374) is methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate?
The canonical SMILES for methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate is COC(=O)CCN1CCc2cc(CC(C)=O)cc(C(N)=O)c21.
What is the InChIKey of methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate?
The InChIKey is YALUNWFLVZHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(19)7-11-8-12-3-5-18(6-4-14(20)22-2)15(12)13(9-11)16(17)21/h8-9H,3-7H2,1-2H3,(H2,17,21).
What are the key properties of methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate?
methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate has a molecular weight of 304.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[7-carbamoyl-5-(2-oxopropyl)-2,3-dihydroindol-1-yl]propanoate is sourced from PubChem (CID 56645374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).