2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

C27H25N3O5 — CID 4594385

IUPAC2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4C)c3)cc2C1=O
InChIInChI=1S/C27H25N3O5/c1-17-7-3-4-10-23(17)29-25(32)18-8-5-9-20(15-18)28-24(31)19-11-12-21-22(16-19)27(34)30(26(21)33)13-6-14-35-2/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKKBQEEYBZSFOMM-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.13
Rot. Bonds8

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

2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 4594385) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID4594385
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4C)c3)cc2C1=O
InChIInChI=1S/C27H25N3O5/c1-17-7-3-4-10-23(17)29-25(32)18-8-5-9-20(15-18)28-24(31)19-11-12-21-22(16-19)27(34)30(26(21)33)13-6-14-35-2/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyKKBQEEYBZSFOMM-UHFFFAOYSA-N
XLogP4.13
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-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

N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208
3-[[2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 2216673
2-(3-methoxypropyl)-N-[4-(2-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 4220387
2-(3-methoxypropyl)-1,3-dioxo-N-[4-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925012
[3-[[2-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928633
N-(2-ethoxy-3-pyridinyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55678774
2-(3-methoxypropyl)-1,3-dioxo-N-[2-(prop-2-enylcarbamoyl)phenyl]isoindole-5-carboxamide
CID 37004930
(2-methylphenyl)methyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738451
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 39000943
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108751645

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 4594385) is 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4C)c3)cc2C1=O.
What is the InChIKey of 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KKBQEEYBZSFOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-7-3-4-10-23(17)29-25(32)18-8-5-9-20(15-18)28-24(31)19-11-12-21-22(16-19)27(34)30(26(21)33)13-6-14-35-2/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 4594385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).