N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide

C18H18N2O3 — CID 71845218

IUPACN-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide
SMILESCN(OCc1ccccc1)C(=O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C18H18N2O3/c1-19(23-13-14-7-3-2-4-8-14)17(21)12-20-11-15-9-5-6-10-16(15)18(20)22/h2-10H,11-13H2,1H3
InChIKeyYJZLLADWJJNMAY-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide

N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide (PubChem CID 71845218) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide
PubChem CID71845218
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide
SMILESCN(OCc1ccccc1)C(=O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C18H18N2O3/c1-19(23-13-14-7-3-2-4-8-14)17(21)12-20-11-15-9-5-6-10-16(15)18(20)22/h2-10H,11-13H2,1H3
InChIKeyYJZLLADWJJNMAY-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20906009
2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119200744
2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
CID 119195409
2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42796396
2-[(E)-2-ethenylbut-2-enyl]-3H-isoindol-1-one
CID 142925288
(2,3,4,5,6-pentafluorophenyl) 2-(3-oxo-1H-isoindol-2-yl)acetate
CID 87806330
(3-oxo-1H-isoindol-2-yl)methyl acetate
CID 23274019
N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42789358
N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
CID 166530339
2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119187853
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 129490807
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide
CID 5072389

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide?
The IUPAC name of N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide (CID 71845218) is N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide is CN(OCc1ccccc1)C(=O)CN1Cc2ccccc2C1=O.
What is the InChIKey of N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide?
The InChIKey is YJZLLADWJJNMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19(23-13-14-7-3-2-4-8-14)17(21)12-20-11-15-9-5-6-10-16(15)18(20)22/h2-10H,11-13H2,1H3.
What are the key properties of N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide?
N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 71845218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).