N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

C27H23N3O5 — CID 39000943

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2C1=O
InChIInChI=1S/C27H23N3O5/c1-34-12-4-11-30-26(32)23-10-9-20(14-24(23)27(30)33)25(31)29-21-7-3-8-22(15-21)35-17-19-6-2-5-18(13-19)16-28/h2-3,5-10,13-15H,4,11-12,17H2,1H3,(H,29,31)
InChIKeyOGOMSQCLNWUOHZ-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.02
Rot. Bonds9

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 39000943) has the molecular formula C27H23N3O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID39000943
Molecular FormulaC27H23N3O5
Molecular Weight469.50 g/mol
Exact Mass469.16
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2C1=O
InChIInChI=1S/C27H23N3O5/c1-34-12-4-11-30-26(32)23-10-9-20(14-24(23)27(30)33)25(31)29-21-7-3-8-22(15-21)35-17-19-6-2-5-18(13-19)16-28/h2-3,5-10,13-15H,4,11-12,17H2,1H3,(H,29,31)
InChIKeyOGOMSQCLNWUOHZ-UHFFFAOYSA-N
XLogP4.02
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide 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-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 4594385
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
methyl 2-[3-[(1,3-dioxo-2-propylisoindole-5-carbonyl)amino]phenoxy]acetate
CID 9322235
[3-[[4-[[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928247
N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
3-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 2216673
2-(3-methoxypropyl)-1,3-dioxo-N-[4-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925012
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[3-[(3-cyanophenyl)methoxy]phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39500774
2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 4220387

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (CID 39000943) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2C1=O.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is OGOMSQCLNWUOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5/c1-34-12-4-11-30-26(32)23-10-9-20(14-24(23)27(30)33)25(31)29-21-7-3-8-22(15-21)35-17-19-6-2-5-18(13-19)16-28/h2-3,5-10,13-15H,4,11-12,17H2,1H3,(H,29,31).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 39000943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).