7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one

C19H21NO2 — CID 43912377

IUPAC7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCCOc1ccc(CC2C(=O)Nc3c(C)cccc32)cc1
InChIInChI=1S/C19H21NO2/c1-3-11-22-15-9-7-14(8-10-15)12-17-16-6-4-5-13(2)18(16)20-19(17)21/h4-10,17H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyPVVYVEFGMHSMHO-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.06
Rot. Bonds5

About 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one

7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43912377) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID43912377
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCCOc1ccc(CC2C(=O)Nc3c(C)cccc32)cc1
InChIInChI=1S/C19H21NO2/c1-3-11-22-15-9-7-14(8-10-15)12-17-16-6-4-5-13(2)18(16)20-19(17)21/h4-10,17H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyPVVYVEFGMHSMHO-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367123
5-[(4-butoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 3125290
3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912366
(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 98160364
7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912363
3-[(2-chloro-4,5-dimethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912372
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
CID 106987031
3-[(2-butoxyphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one
CID 43912618
4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 18338957
7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986723
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 43912377) is 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one is CCCOc1ccc(CC2C(=O)Nc3c(C)cccc32)cc1.
What is the InChIKey of 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is PVVYVEFGMHSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-11-22-15-9-7-14(8-10-15)12-17-16-6-4-5-13(2)18(16)20-19(17)21/h4-10,17H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one?
7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 295.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).