2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide

C19H18N2O3 — CID 132838977

IUPAC2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide
SMILESC=C(C[C@]1(O)C(=O)N(C)c2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(17(22)20-14-8-4-3-5-9-14)12-19(24)15-10-6-7-11-16(15)21(2)18(19)23/h3-11,24H,1,12H2,2H3,(H,20,22)/t19-/m1/s1
InChIKeyJNBCULKUFABHFJ-LJQANCHMSA-N
MW322.36 g/mol
LogP2.44
Rot. Bonds4

About 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide

2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide (PubChem CID 132838977) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide
PubChem CID132838977
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide
SMILESC=C(C[C@]1(O)C(=O)N(C)c2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(17(22)20-14-8-4-3-5-9-14)12-19(24)15-10-6-7-11-16(15)21(2)18(19)23/h3-11,24H,1,12H2,2H3,(H,20,22)/t19-/m1/s1
InChIKeyJNBCULKUFABHFJ-LJQANCHMSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(3S)-5-bromo-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide
CID 122226619
2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide
CID 122226615
(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one
CID 5396666
2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-phenylacetamide
CID 40946799
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 823783
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 2883376
(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 791129
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
3-hydroxy-1-methyl-3-(2-oxo-6-phenylhexa-3,5-dienyl)indol-2-one
CID 2914014
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 1330612

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide?
The IUPAC name of 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide (CID 132838977) is 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide.
What is the SMILES notation for 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide?
The canonical SMILES for 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide is C=C(C[C@]1(O)C(=O)N(C)c2ccccc21)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide?
The InChIKey is JNBCULKUFABHFJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(17(22)20-14-8-4-3-5-9-14)12-19(24)15-10-6-7-11-16(15)21(2)18(19)23/h3-11,24H,1,12H2,2H3,(H,20,22)/t19-/m1/s1.
What are the key properties of 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide?
2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide has a molecular weight of 322.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide is sourced from PubChem (CID 132838977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).