2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione

C17H16N2O3 — CID 57109215

IUPAC2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione
SMILESNC(CN1C(=O)c2ccccc2C1=O)OCc1ccccc1
InChIInChI=1S/C17H16N2O3/c18-15(22-11-12-6-2-1-3-7-12)10-19-16(20)13-8-4-5-9-14(13)17(19)21/h1-9,15H,10-11,18H2
InChIKeyCNSKWGZPIFYRDD-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.78
Rot. Bonds5

About 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione

2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione (PubChem CID 57109215) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione
PubChem CID57109215
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione
SMILESNC(CN1C(=O)c2ccccc2C1=O)OCc1ccccc1
InChIInChI=1S/C17H16N2O3/c18-15(22-11-12-6-2-1-3-7-12)10-19-16(20)13-8-4-5-9-14(13)17(19)21/h1-9,15H,10-11,18H2
InChIKeyCNSKWGZPIFYRDD-UHFFFAOYSA-N
XLogP1.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-(1,3-dioxoisoindol-2-yl)-1-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 134832239
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
benzyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-5,5,5-trifluoropentanoate
CID 153066190
benzyl N-[(2S)-3-(1,3-dioxoisoindol-2-yl)-1,1-diphenylpropan-2-yl]carbamate
CID 58067100
2-[(2R)-2-[2-[(R)-hydroxy-(1-methylindol-3-yl)methyl]phenyl]-2-phenylmethoxyethyl]isoindole-1,3-dione
CID 58009166
2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione
CID 165404978
2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione
CID 63071392
benzyl N-[4-cyano-1-(1,3-dioxoisoindol-2-yl)butan-2-yl]carbamate
CID 118398283
4-O-benzyl 1-O-tert-butyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-2-(2-methylpropyl)butanedioate
CID 70070887
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione (CID 57109215) is 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione is NC(CN1C(=O)c2ccccc2C1=O)OCc1ccccc1.
What is the InChIKey of 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione?
The InChIKey is CNSKWGZPIFYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c18-15(22-11-12-6-2-1-3-7-12)10-19-16(20)13-8-4-5-9-14(13)17(19)21/h1-9,15H,10-11,18H2.
What are the key properties of 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione?
2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione has a molecular weight of 296.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 57109215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).