N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide

C20H25N3OS — CID 120655173

IUPACN-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
SMILESCCN[C@H](C)CNC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H25N3OS/c1-3-21-15(2)14-22-20(24)12-13-23-16-8-4-6-10-18(16)25-19-11-7-5-9-17(19)23/h4-11,15,21H,3,12-14H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyJXYNTNSCDMQKCF-OAHLLOKOSA-N
MW355.51 g/mol
LogP3.79
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide

N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide (PubChem CID 120655173) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
PubChem CID120655173
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
SMILESCCN[C@H](C)CNC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H25N3OS/c1-3-21-15(2)14-22-20(24)12-13-23-16-8-4-6-10-18(16)25-19-11-7-5-9-17(19)23/h4-11,15,21H,3,12-14H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyJXYNTNSCDMQKCF-OAHLLOKOSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
CID 119505196
N-(1-hydroxypropan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 78857040
N-(1-hydroxybutan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 112771464
3-phenothiazin-10-yl-N'-phenylpropanehydrazide
CID 78775040
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate
CID 42970448
ethyl 3-phenothiazin-10-ylpropanoate
CID 20768351
hydrazinyl 3-phenothiazin-10-ylpropanoate
CID 66337325
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157
3-methyl-1-phenothiazin-10-ylbutan-2-one
CID 79395572
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
3-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651359

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide (CID 120655173) is N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide is CCN[C@H](C)CNC(=O)CCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide?
The InChIKey is JXYNTNSCDMQKCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-3-21-15(2)14-22-20(24)12-13-23-16-8-4-6-10-18(16)25-19-11-7-5-9-17(19)23/h4-11,15,21H,3,12-14H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide?
N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide has a molecular weight of 355.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 120655173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).