(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one

C18H20N2O — CID 26367502

IUPAC(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)[C@@H](Cc1ccc(N(C)C)cc1)C(=O)N2
InChIInChI=1S/C18H20N2O/c1-12-4-9-17-15(10-12)16(18(21)19-17)11-13-5-7-14(8-6-13)20(2)3/h4-10,16H,11H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyGANUQJNSNIDQHE-MRXNPFEDSA-N
MW280.37 g/mol
LogP3.34
Rot. Bonds3

About (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one

(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 26367502) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID26367502
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)[C@@H](Cc1ccc(N(C)C)cc1)C(=O)N2
InChIInChI=1S/C18H20N2O/c1-12-4-9-17-15(10-12)16(18(21)19-17)11-13-5-7-14(8-6-13)20(2)3/h4-10,16H,11H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyGANUQJNSNIDQHE-MRXNPFEDSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 154718795
(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367950
5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 143719434
(3R)-3-[(3-bromo-4,5-diethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 95059746
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 43912483
3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one
CID 53044232
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
(2S)-2-amino-3-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)propanamide
CID 166893790
2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
CID 82228734

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one (CID 26367502) is (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)[C@@H](Cc1ccc(N(C)C)cc1)C(=O)N2.
What is the InChIKey of (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is GANUQJNSNIDQHE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-4-9-17-15(10-12)16(18(21)19-17)11-13-5-7-14(8-6-13)20(2)3/h4-10,16H,11H2,1-3H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one?
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).