N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide

C25H28FN3O6 — CID 130389130

IUPACN-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide
SMILESCCC(=O)NC(=O)C(O)N1Cc2c(OCc3ccc(CN4CCOCC4)cc3F)cccc2C1=O
InChIInChI=1S/C25H28FN3O6/c1-2-22(30)27-23(31)25(33)29-14-19-18(24(29)32)4-3-5-21(19)35-15-17-7-6-16(12-20(17)26)13-28-8-10-34-11-9-28/h3-7,12,25,33H,2,8-11,13-15H2,1H3,(H,27,30,31)
InChIKeyBIRQETXMIRSDQN-UHFFFAOYSA-N
MW485.51 g/mol
LogP1.56
Rot. Bonds8

About N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide

N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide (PubChem CID 130389130) has the molecular formula C25H28FN3O6 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide.

Molecular Properties

Compound NameN-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide
PubChem CID130389130
Molecular FormulaC25H28FN3O6
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide
SMILESCCC(=O)NC(=O)C(O)N1Cc2c(OCc3ccc(CN4CCOCC4)cc3F)cccc2C1=O
InChIInChI=1S/C25H28FN3O6/c1-2-22(30)27-23(31)25(33)29-14-19-18(24(29)32)4-3-5-21(19)35-15-17-7-6-16(12-20(17)26)13-28-8-10-34-11-9-28/h3-7,12,25,33H,2,8-11,13-15H2,1H3,(H,27,30,31)
InChIKeyBIRQETXMIRSDQN-UHFFFAOYSA-N
XLogP1.56
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide 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

ethane;5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-3,3,4,4-tetrahydroxypiperidine-2,6-dione
CID 145070306
3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817561
N-but-1-en-2-yl-2-[7-[2-[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]ethyl]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetamide
CID 145070377
3,3,4,4-tetrahydroxy-N-methyl-2-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 135292752
(2S)-2,3,3,4,4-pentadeuterio-2-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxohexanamide
CID 130434102
2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,1-dihydroxy-3-oxoisoindol-2-yl]-2,3,3,4,4-pentahydroxy-N-methyl-5-oxopentanamide
CID 142374517
3-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1,1-dihydroxy-3-oxoisoindol-2-yl]-3-hydroxypiperidine-2,6-dione
CID 142374451
N-[2-[[2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-6-formylphenyl]methyl-methylamino]-2-hydroxyacetyl]propanamide
CID 130389081
tert-butyl (4S)-5-amino-4-[7-[[4-[[4-(3-cyano-4-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 166679175
(3S)-3-[7-[dideuterio-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153447448
2-[7-[[4-(1,4-oxazepan-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]pentanedial
CID 129236680
2-[7-[[2-fluoro-4-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxy-N-methyl-5-oxopentanamide
CID 145070939

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide?
The IUPAC name of N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide (CID 130389130) is N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide.
What is the SMILES notation for N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide?
The canonical SMILES for N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide is CCC(=O)NC(=O)C(O)N1Cc2c(OCc3ccc(CN4CCOCC4)cc3F)cccc2C1=O.
What is the InChIKey of N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide?
The InChIKey is BIRQETXMIRSDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O6/c1-2-22(30)27-23(31)25(33)29-14-19-18(24(29)32)4-3-5-21(19)35-15-17-7-6-16(12-20(17)26)13-28-8-10-34-11-9-28/h3-7,12,25,33H,2,8-11,13-15H2,1H3,(H,27,30,31).
What are the key properties of N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide?
N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide has a molecular weight of 485.51 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-2-hydroxyacetyl]propanamide is sourced from PubChem (CID 130389130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).