methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate

C16H22N2O4 — CID 3102997

IUPACmethyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21
InChIInChI=1S/C16H22N2O4/c1-16(8-5-9-17(2)15(21)22-4)12-10-11(19)6-7-13(12)18(3)14(16)20/h6-7,10,19H,5,8-9H2,1-4H3
InChIKeyOWWLUEIFOIPLRY-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.10
Rot. Bonds4

About methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate

methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate (PubChem CID 3102997) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate
PubChem CID3102997
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21
InChIInChI=1S/C16H22N2O4/c1-16(8-5-9-17(2)15(21)22-4)12-10-11(19)6-7-13(12)18(3)14(16)20/h6-7,10,19H,5,8-9H2,1-4H3
InChIKeyOWWLUEIFOIPLRY-UHFFFAOYSA-N
XLogP2.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate?
The IUPAC name of methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate (CID 3102997) is methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate is COC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21.
What is the InChIKey of methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate?
The InChIKey is OWWLUEIFOIPLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(8-5-9-17(2)15(21)22-4)12-10-11(19)6-7-13(12)18(3)14(16)20/h6-7,10,19H,5,8-9H2,1-4H3.
What are the key properties of methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate?
methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate has a molecular weight of 306.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(5-hydroxy-1,3-dimethyl-2-oxoindol-3-yl)propyl]-N-methylcarbamate is sourced from PubChem (CID 3102997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).