CID 171374663

C29H45NO2Sn — CID 171374663

IUPAC—
SMILESCCCC.CCCC.CCCC.O=C1c2ccccc2C(=O)N1CCCc1ccccc1.[Sn]
InChIInChI=1S/C17H15NO2.3C4H10.Sn/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13;3*1-3-4-2;/h1-5,7-8,10-11H,6,9,12H2;3*3-4H2,1-2H3;
InChIKeyCMVXEKPPSXEWMO-UHFFFAOYSA-N
MW558.40 g/mol
LogP7.95
Rot. Bonds7

About CID 171374663

CID 171374663 (PubChem CID 171374663) has the molecular formula C29H45NO2Sn and a molecular weight of 558.40 g/mol.

Molecular Properties

Compound NameCID 171374663
PubChem CID171374663
Molecular FormulaC29H45NO2Sn
Molecular Weight558.40 g/mol
Exact Mass559.25
IUPAC Name—
SMILESCCCC.CCCC.CCCC.O=C1c2ccccc2C(=O)N1CCCc1ccccc1.[Sn]
InChIInChI=1S/C17H15NO2.3C4H10.Sn/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13;3*1-3-4-2;/h1-5,7-8,10-11H,6,9,12H2;3*3-4H2,1-2H3;
InChIKeyCMVXEKPPSXEWMO-UHFFFAOYSA-N
XLogP7.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.40
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 171374663 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-(4-hydroxy-6-phenylhexyl)isoindole-1,3-dione
CID 58386199
2-[6-(4-bromophenyl)hexyl]isoindole-1,3-dione
CID 68789192
2-[3-(1,3-dioxoisoindol-2-yl)-6-phenylhexyl]isoindole-1,3-dione
CID 122231020
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
2-[3-[3,4-bis(phenylmethoxy)phenyl]propyl]isoindole-1,3-dione
CID 57409671
2-[3-[4-(2-bromoacetyl)phenyl]propyl]isoindole-1,3-dione
CID 88955130
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
benzyl-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 57370580

Frequently Asked Questions

What is the IUPAC name of CID 171374663?
The IUPAC name of CID 171374663 (CID 171374663) is not available.
What is the SMILES notation for CID 171374663?
The canonical SMILES for CID 171374663 is CCCC.CCCC.CCCC.O=C1c2ccccc2C(=O)N1CCCc1ccccc1.[Sn].
What is the InChIKey of CID 171374663?
The InChIKey is CMVXEKPPSXEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.3C4H10.Sn/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13;3*1-3-4-2;/h1-5,7-8,10-11H,6,9,12H2;3*3-4H2,1-2H3;.
What are the key properties of CID 171374663?
CID 171374663 has a molecular weight of 558.40 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171374663 is sourced from PubChem (CID 171374663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).