N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C25H33IN4O2 — CID 109480437

IUPACN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(/NCCCC(=O)N1CCc2ccccc21)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C25H32N4O2.HI/c1-19-8-3-5-10-21(19)23-18-28(16-17-31-23)25(26-2)27-14-7-12-24(30)29-15-13-20-9-4-6-11-22(20)29;/h3-6,8-11,23H,7,12-18H2,1-2H3,(H,26,27);1H
InChIKeyDQSDQCLOEWBKSS-UHFFFAOYSA-N
MW548.47 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109480437) has the molecular formula C25H33IN4O2 and a molecular weight of 548.47 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109480437
Molecular FormulaC25H33IN4O2
Molecular Weight548.47 g/mol
Exact Mass548.16
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(/NCCCC(=O)N1CCc2ccccc21)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C25H32N4O2.HI/c1-19-8-3-5-10-21(19)23-18-28(16-17-31-23)25(26-2)27-14-7-12-24(30)29-15-13-20-9-4-6-11-22(20)29;/h3-6,8-11,23H,7,12-18H2,1-2H3,(H,26,27);1H
InChIKeyDQSDQCLOEWBKSS-UHFFFAOYSA-N
XLogP3.93
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'iodine', 'substructure': 'N/A'}

Analyze N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide 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-butan-2-yl-3-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]propanamide;hydroiodide
CID 109479676
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-methyl-2-(2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109481456
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480747
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481283
N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109480237
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998
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-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
3-methoxy-N-[2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109480994

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109480437) is N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is C/N=C(/NCCCC(=O)N1CCc2ccccc21)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is DQSDQCLOEWBKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2.HI/c1-19-8-3-5-10-21(19)23-18-28(16-17-31-23)25(26-2)27-14-7-12-24(30)29-15-13-20-9-4-6-11-22(20)29;/h3-6,8-11,23H,7,12-18H2,1-2H3,(H,26,27);1H.
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 548.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).