2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide

C19H18N2O3 — CID 9032875

IUPAC2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)Cc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)20-17(22)12-21-18(23)11-15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyRDNVMFAOSZUTSE-CYBMUJFWSA-N
MW322.36 g/mol
LogP2.09
Rot. Bonds4

About 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide

2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9032875) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9032875
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)Cc2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)20-17(22)12-21-18(23)11-15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyRDNVMFAOSZUTSE-CYBMUJFWSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938188
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9427038
3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 9426622
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9187295
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
CID 9480265
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150265
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
CID 50758002
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8014784
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
CID 110839260
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide (CID 9032875) is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CN1C(=O)Cc2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is RDNVMFAOSZUTSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)20-17(22)12-21-18(23)11-15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide?
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9032875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).