2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide

C29H32N2O4 — CID 24746259

IUPAC2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)C1(C(=O)N[C@H](CO)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C29H32N2O4/c32-19-25(15-21-9-3-1-4-10-21)30-27(34)29(17-23-13-7-8-14-24(23)18-29)28(35)31-26(20-33)16-22-11-5-2-6-12-22/h1-14,25-26,32-33H,15-20H2,(H,30,34)(H,31,35)/t25-,26-/m0/s1
InChIKeyZJQWMYVYJCQTAQ-UIOOFZCWSA-N
MW472.59 g/mol
LogP2.21
Rot. Bonds10

About 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide

2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide (PubChem CID 24746259) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
PubChem CID24746259
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)C1(C(=O)N[C@H](CO)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C29H32N2O4/c32-19-25(15-21-9-3-1-4-10-21)30-27(34)29(17-23-13-7-8-14-24(23)18-29)28(35)31-26(20-33)16-22-11-5-2-6-12-22/h1-14,25-26,32-33H,15-20H2,(H,30,34)(H,31,35)/t25-,26-/m0/s1
InChIKeyZJQWMYVYJCQTAQ-UIOOFZCWSA-N
XLogP2.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
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CID 102677400
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
CID 115439571
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 129478894

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide?
The IUPAC name of 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide (CID 24746259) is 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide?
The canonical SMILES for 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide is O=C(N[C@H](CO)Cc1ccccc1)C1(C(=O)N[C@H](CO)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide?
The InChIKey is ZJQWMYVYJCQTAQ-UIOOFZCWSA-N. The full InChI is InChI=1S/C29H32N2O4/c32-19-25(15-21-9-3-1-4-10-21)30-27(34)29(17-23-13-7-8-14-24(23)18-29)28(35)31-26(20-33)16-22-11-5-2-6-12-22/h1-14,25-26,32-33H,15-20H2,(H,30,34)(H,31,35)/t25-,26-/m0/s1.
What are the key properties of 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide?
2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide has a molecular weight of 472.59 g/mol, XLogP of 2.21, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide is sourced from PubChem (CID 24746259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).