7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one

C23H28N2O3 — CID 163382239

IUPAC7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one
SMILESC=C(Nc1cccc2c1C(=O)N(C(C)C(C)(C)O)C2)c1ccccc1OCC
InChIInChI=1S/C23H28N2O3/c1-6-28-20-13-8-7-11-18(20)15(2)24-19-12-9-10-17-14-25(22(26)21(17)19)16(3)23(4,5)27/h7-13,16,24,27H,2,6,14H2,1,3-5H3
InChIKeyIROMUZCRBXBGNA-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.28
Rot. Bonds7

About 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one

7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one (PubChem CID 163382239) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one
PubChem CID163382239
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one
SMILESC=C(Nc1cccc2c1C(=O)N(C(C)C(C)(C)O)C2)c1ccccc1OCC
InChIInChI=1S/C23H28N2O3/c1-6-28-20-13-8-7-11-18(20)15(2)24-19-12-9-10-17-14-25(22(26)21(17)19)16(3)23(4,5)27/h7-13,16,24,27H,2,6,14H2,1,3-5H3
InChIKeyIROMUZCRBXBGNA-UHFFFAOYSA-N
XLogP4.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one 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-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide
CID 163382235
2-(3-hydroxy-3-methylbutan-2-yl)-7-methyl-3H-isoindol-1-one
CID 163382517
2-ethoxy-N-[3-oxo-2-[3-(trifluoromethylsulfonyl)phenyl]-1H-isoindol-4-yl]benzamide
CID 127024730
3-[4-[1-(dimethylamino)ethenylamino]-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 70331545
N-(2-cyanopropan-2-yl)-2-ethoxybenzamide
CID 54904382
[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane
CID 68953148
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
3-[4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid
CID 22177176
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
CID 114304946

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one?
The IUPAC name of 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one (CID 163382239) is 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one is C=C(Nc1cccc2c1C(=O)N(C(C)C(C)(C)O)C2)c1ccccc1OCC.
What is the InChIKey of 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one?
The InChIKey is IROMUZCRBXBGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-6-28-20-13-8-7-11-18(20)15(2)24-19-12-9-10-17-14-25(22(26)21(17)19)16(3)23(4,5)27/h7-13,16,24,27H,2,6,14H2,1,3-5H3.
What are the key properties of 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one?
7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one has a molecular weight of 380.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 163382239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).