(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide

C21H34N2O2 — CID 30396485

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C21H34N2O2/c1-5-19(25-20-9-6-8-17(3)18(20)4)21(24)22-12-7-13-23-14-10-16(2)11-15-23/h6,8-9,16,19H,5,7,10-15H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyUGSHBJFKUCTFFG-LJQANCHMSA-N
MW346.52 g/mol
LogP3.70
Rot. Bonds8

About (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide (PubChem CID 30396485) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
PubChem CID30396485
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C21H34N2O2/c1-5-19(25-20-9-6-8-17(3)18(20)4)21(24)22-12-7-13-23-14-10-16(2)11-15-23/h6,8-9,16,19H,5,7,10-15H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyUGSHBJFKUCTFFG-LJQANCHMSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
(2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 94019570
(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
CID 94027154
(2R)-N-(3-morpholin-4-ylpropyl)-2-naphthalen-1-yloxybutanamide
CID 38018264
(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
CID 99948309
(2S)-2-(2,3-dimethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
CID 99972645

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide (CID 30396485) is (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCC(C)CC1.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
The InChIKey is UGSHBJFKUCTFFG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-5-19(25-20-9-6-8-17(3)18(20)4)21(24)22-12-7-13-23-14-10-16(2)11-15-23/h6,8-9,16,19H,5,7,10-15H2,1-4H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide has a molecular weight of 346.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 30396485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).