(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

C17H26ClN3O2 — CID 94040489

IUPAC(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-14(23-16-7-4-3-6-15(16)18)17(22)19-8-5-9-21-12-10-20(2)11-13-21/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyFYJRORWADOZLRQ-CQSZACIVSA-N
MW339.87 g/mol
LogP1.86
Rot. Bonds7

About (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 94040489) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID94040489
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C17H26ClN3O2/c1-14(23-16-7-4-3-6-15(16)18)17(22)19-8-5-9-21-12-10-20(2)11-13-21/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyFYJRORWADOZLRQ-CQSZACIVSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
(2R)-2-(2-chlorophenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702543
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262
(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972762
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
(2S)-2-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 94040489) is (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is C[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is FYJRORWADOZLRQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-14(23-16-7-4-3-6-15(16)18)17(22)19-8-5-9-21-12-10-20(2)11-13-21/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 339.87 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 94040489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).