2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide

C26H25N3O5 — CID 71729988

IUPAC2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4OC)c3)c2C1=O
InChIInChI=1S/C26H25N3O5/c1-33-14-13-29-16-18-8-6-10-20(23(18)26(29)32)25(31)27-19-9-5-7-17(15-19)24(30)28-21-11-3-4-12-22(21)34-2/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyUOCBTROVCAZCGB-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.80
Rot. Bonds8

About 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 71729988) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID71729988
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4OC)c3)c2C1=O
InChIInChI=1S/C26H25N3O5/c1-33-14-13-29-16-18-8-6-10-20(23(18)26(29)32)25(31)27-19-9-5-7-17(15-19)24(30)28-21-11-3-4-12-22(21)34-2/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyUOCBTROVCAZCGB-UHFFFAOYSA-N
XLogP3.80
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-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-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
Nan 190
CID 4431
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
(4S)-4-amino-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
CID 24901643
4-[[[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
CID 5307705
2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide
CID 9894665
2-(3-fluorophenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10506729
2-(4-methylphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10530491
2-(4-hydroxyphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10674055
2-[4-(dimethylamino)phenyl]-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10674564

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide (CID 71729988) is 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3cccc(C(=O)Nc4ccccc4OC)c3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is UOCBTROVCAZCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-33-14-13-29-16-18-8-6-10-20(23(18)26(29)32)25(31)27-19-9-5-7-17(15-19)24(30)28-21-11-3-4-12-22(21)34-2/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 71729988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).