N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

C28H26N2O4 — CID 55372734

IUPACN-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C28H26N2O4/c31-26(29-25(20-10-5-2-6-11-20)16-19-8-3-1-4-9-19)21-13-14-23-24(17-21)28(33)30(27(23)32)18-22-12-7-15-34-22/h1-6,8-11,13-14,17,22,25H,7,12,15-16,18H2,(H,29,31)
InChIKeyWLKFXCYERVUGPX-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.18
Rot. Bonds7

About N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (PubChem CID 55372734) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
PubChem CID55372734
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC NameN-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C28H26N2O4/c31-26(29-25(20-10-5-2-6-11-20)16-19-8-3-1-4-9-19)21-13-14-23-24(17-21)28(33)30(27(23)32)18-22-12-7-15-34-22/h1-6,8-11,13-14,17,22,25H,7,12,15-16,18H2,(H,29,31)
InChIKeyWLKFXCYERVUGPX-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46414104
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 51950187
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
N-[(2S)-1-aminopropan-2-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide;hydrochloride
CID 120506827
N-(2-amino-1-cyclopropylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119613998
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]isoindole-5-carboxamide
CID 46479062
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoic acid
CID 1369615
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324
N-(2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362773
N-[(2-methylphenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46653554
N-(cyclobutylmethyl)-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38656070
2-[[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carbonyl]amino]benzoate
CID 6982548

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide (CID 55372734) is N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is O=C(NC(Cc1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
The InChIKey is WLKFXCYERVUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c31-26(29-25(20-10-5-2-6-11-20)16-19-8-3-1-4-9-19)21-13-14-23-24(17-21)28(33)30(27(23)32)18-22-12-7-15-34-22/h1-6,8-11,13-14,17,22,25H,7,12,15-16,18H2,(H,29,31).
What are the key properties of N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide?
N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 55372734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).