2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide

C20H25N3OS — CID 119731854

IUPAC2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
SMILESCNCC(C)C(=O)NCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H25N3OS/c1-15(14-21-2)20(24)22-12-7-13-23-16-8-3-5-10-18(16)25-19-11-6-4-9-17(19)23/h3-6,8-11,15,21H,7,12-14H2,1-2H3,(H,22,24)
InChIKeyUOTVLFSJQOKPHV-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.65
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide

2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide (PubChem CID 119731854) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
PubChem CID119731854
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
SMILESCNCC(C)C(=O)NCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H25N3OS/c1-15(14-21-2)20(24)22-12-7-13-23-16-8-3-5-10-18(16)25-19-11-6-4-9-17(19)23/h3-6,8-11,15,21H,7,12-14H2,1-2H3,(H,22,24)
InChIKeyUOTVLFSJQOKPHV-UHFFFAOYSA-N
XLogP3.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)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

N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
CID 155804735
N-(4-phenothiazin-10-ylbutyl)methanesulfonamide
CID 11078573
1-methyl-N-(3-phenothiazin-10-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78901824
N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867796
4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55652135
N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 119293982
1-ethylsulfonyl-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 55679725
(1E)-1-[(4-chlorophenyl)methylidene]-3-(3-phenothiazin-10-ylpropyl)urea
CID 71593819
(2R)-5-oxo-N-(3-phenothiazin-10-ylpropyl)pyrrolidine-2-carboxamide
CID 96559582
N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
CID 120655173
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide (CID 119731854) is 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide is CNCC(C)C(=O)NCCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide?
The InChIKey is UOTVLFSJQOKPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-15(14-21-2)20(24)22-12-7-13-23-16-8-3-5-10-18(16)25-19-11-6-4-9-17(19)23/h3-6,8-11,15,21H,7,12-14H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide?
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide has a molecular weight of 355.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide is sourced from PubChem (CID 119731854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).