N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride

C19H24ClN3OS — CID 119505196

IUPACN-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
SMILESCCNCCNC(=O)CCN1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C19H23N3OS.ClH/c1-2-20-12-13-21-19(23)11-14-22-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)22;/h3-10,20H,2,11-14H2,1H3,(H,21,23);1H
InChIKeyVCURHGIEYMMOMI-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride (PubChem CID 119505196) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
PubChem CID119505196
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC NameN-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
SMILESCCNCCNC(=O)CCN1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C19H23N3OS.ClH/c1-2-20-12-13-21-19(23)11-14-22-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)22;/h3-10,20H,2,11-14H2,1H3,(H,21,23);1H
InChIKeyVCURHGIEYMMOMI-UHFFFAOYSA-N
XLogP3.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.83
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'}

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
CID 120655173
N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
CID 35513225
N-(1-hydroxybutan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 112771464
3-phenothiazin-10-yl-N'-phenylpropanehydrazide
CID 78775040
N-(1-hydroxypropan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 78857040
ethyl 3-phenothiazin-10-ylpropanoate
CID 20768351
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate
CID 42970448
hydrazinyl 3-phenothiazin-10-ylpropanoate
CID 66337325
ethyl (E)-N-(3-phenothiazin-10-ylpropanoyl)benzenecarbohydrazonate
CID 11091033
3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55339921

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride (CID 119505196) is N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride is CCNCCNC(=O)CCN1c2ccccc2Sc2ccccc21.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride?
The InChIKey is VCURHGIEYMMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS.ClH/c1-2-20-12-13-21-19(23)11-14-22-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)22;/h3-10,20H,2,11-14H2,1H3,(H,21,23);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride is sourced from PubChem (CID 119505196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).