(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

C19H31N3O2 — CID 93486249

IUPAC(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C19H31N3O2/c1-4-17(24-18-9-6-5-8-16(18)2)19(23)20-10-7-11-22-14-12-21(3)13-15-22/h5-6,8-9,17H,4,7,10-15H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyVNTSKZFEQUDBED-QGZVFWFLSA-N
MW333.48 g/mol
LogP1.91
Rot. Bonds8

About (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (PubChem CID 93486249) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
PubChem CID93486249
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCN(C)CC1
InChIInChI=1S/C19H31N3O2/c1-4-17(24-18-9-6-5-8-16(18)2)19(23)20-10-7-11-22-14-12-21(3)13-15-22/h5-6,8-9,17H,4,7,10-15H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyVNTSKZFEQUDBED-QGZVFWFLSA-N
XLogP1.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.91
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

2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 43885146
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 30396485
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 28564718
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
(2R)-N-(3-morpholin-4-ylpropyl)-2-naphthalen-1-yloxybutanamide
CID 38018264

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (CID 93486249) is (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCN(C)CC1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The InChIKey is VNTSKZFEQUDBED-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-17(24-18-9-6-5-8-16(18)2)19(23)20-10-7-11-22-14-12-21(3)13-15-22/h5-6,8-9,17H,4,7,10-15H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide has a molecular weight of 333.48 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 93486249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).