N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

C25H30N4O3 — CID 109480747

IUPACN-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCCCCN1C(=O)c2ccccc2C1=O)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C25H30N4O3/c1-18-9-3-4-10-19(18)22-17-28(15-16-32-22)25(26-2)27-13-7-8-14-29-23(30)20-11-5-6-12-21(20)24(29)31/h3-6,9-12,22H,7-8,13-17H2,1-2H3,(H,26,27)
InChIKeyFUHXZRBJDSKEAA-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.02
Rot. Bonds6

About N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109480747) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109480747
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCCCCN1C(=O)c2ccccc2C1=O)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C25H30N4O3/c1-18-9-3-4-10-19(18)22-17-28(15-16-32-22)25(26-2)27-13-7-8-14-29-23(30)20-11-5-6-12-21(20)24(29)31/h3-6,9-12,22H,7-8,13-17H2,1-2H3,(H,26,27)
InChIKeyFUHXZRBJDSKEAA-UHFFFAOYSA-N
XLogP3.02
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide 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-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109480237
N'-methyl-2-(2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109481456
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480279
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480437
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
N'-methyl-2-(2-methylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480215
N-butan-2-yl-3-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]propanamide;hydroiodide
CID 109479676

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109480747) is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is C/N=C(\NCCCCN1C(=O)c2ccccc2C1=O)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is FUHXZRBJDSKEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-9-3-4-10-19(18)22-17-28(15-16-32-22)25(26-2)27-13-7-8-14-29-23(30)20-11-5-6-12-21(20)24(29)31/h3-6,9-12,22H,7-8,13-17H2,1-2H3,(H,26,27).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 434.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109480747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).