N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide

C30H27N3O4 — CID 122425304

IUPACN-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)c1cn(CCCN2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C30H27N3O4/c1-20(34)31-26(18-21-10-3-2-4-11-21)28(35)25-19-32(27-15-8-7-12-22(25)27)16-9-17-33-29(36)23-13-5-6-14-24(23)30(33)37/h2-8,10-15,19,26H,9,16-18H2,1H3,(H,31,34)
InChIKeyGCYJXYDHXLTOJA-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.26
Rot. Bonds9

About N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide

N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 122425304) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
PubChem CID122425304
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC NameN-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)c1cn(CCCN2C(=O)c3ccccc3C2=O)c2ccccc12
InChIInChI=1S/C30H27N3O4/c1-20(34)31-26(18-21-10-3-2-4-11-21)28(35)25-19-32(27-15-8-7-12-22(25)27)16-9-17-33-29(36)23-13-5-6-14-24(23)30(33)37/h2-8,10-15,19,26H,9,16-18H2,1H3,(H,31,34)
InChIKeyGCYJXYDHXLTOJA-UHFFFAOYSA-N
XLogP4.26
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-acetylindol-3-yl)carbamoylamino]-3-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-3-oxopropanamide
CID 122425467
2-[3-[3-[3-(dimethylamino)prop-2-enoyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 54338032
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-3-phenylpropanoate
CID 2929077
2-(1,3-dioxoisoindol-2-yl)ethyl 1-ethylindole-3-carboxylate
CID 46640718
(1,3-dioxoisoindol-2-yl) 2-acetamido-3-phenylpropanoate
CID 146479587
3-(3-benzylindol-1-yl)propan-1-amine;2-[3-(3-benzylindol-1-yl)propyl]isoindole-1,3-dione;hydrochloride
CID 157075101
N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide
CID 142212830
(2R)-3-[4-[3-(1,3-dioxoisoindol-2-yl)propoxy]phenyl]-2-(oxaloamino)propanoic acid
CID 45377045
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547
(2S)-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 70080497
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate
CID 146479709

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?
The IUPAC name of N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide (CID 122425304) is N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide is CC(=O)NC(Cc1ccccc1)C(=O)c1cn(CCCN2C(=O)c3ccccc3C2=O)c2ccccc12.
What is the InChIKey of N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?
The InChIKey is GCYJXYDHXLTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c1-20(34)31-26(18-21-10-3-2-4-11-21)28(35)25-19-32(27-15-8-7-12-22(25)27)16-9-17-33-29(36)23-13-5-6-14-24(23)30(33)37/h2-8,10-15,19,26H,9,16-18H2,1H3,(H,31,34).
What are the key properties of N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide?
N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 493.56 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 122425304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).