2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

C19H31N3O2 — CID 132651642

IUPAC2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCCCN2CCN(C)CC2)cc1C
InChIInChI=1S/C19H31N3O2/c1-15-6-7-18(14-16(15)2)24-17(3)19(23)20-8-5-9-22-12-10-21(4)11-13-22/h6-7,14,17H,5,8-13H2,1-4H3,(H,20,23)
InChIKeyQTHPUWRWNPDYDV-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.82
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 132651642) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID132651642
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCCCN2CCN(C)CC2)cc1C
InChIInChI=1S/C19H31N3O2/c1-15-6-7-18(14-16(15)2)24-17(3)19(23)20-8-5-9-22-12-10-21(4)11-13-22/h6-7,14,17H,5,8-13H2,1-4H3,(H,20,23)
InChIKeyQTHPUWRWNPDYDV-UHFFFAOYSA-N
XLogP1.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.82
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-(3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972774
(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-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
CID 43916472
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 132651642) is 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is Cc1ccc(OC(C)C(=O)NCCCN2CCN(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is QTHPUWRWNPDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15-6-7-18(14-16(15)2)24-17(3)19(23)20-8-5-9-22-12-10-21(4)11-13-22/h6-7,14,17H,5,8-13H2,1-4H3,(H,20,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 132651642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).