(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide

C22H36N2O2 — CID 99948309

IUPAC(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C22H36N2O2/c1-6-20(26-21-13-16(2)8-9-19(21)5)22(25)23-10-7-11-24-14-17(3)12-18(4)15-24/h8-9,13,17-18,20H,6-7,10-12,14-15H2,1-5H3,(H,23,25)/t17-,18-,20-/m1/s1
InChIKeyWRJRCZGDIAPEDI-QWFCFKBJSA-N
MW360.54 g/mol
LogP3.95
Rot. Bonds8

About (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide

(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide (PubChem CID 99948309) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
PubChem CID99948309
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C22H36N2O2/c1-6-20(26-21-13-16(2)8-9-19(21)5)22(25)23-10-7-11-24-14-17(3)12-18(4)15-24/h8-9,13,17-18,20H,6-7,10-12,14-15H2,1-5H3,(H,23,25)/t17-,18-,20-/m1/s1
InChIKeyWRJRCZGDIAPEDI-QWFCFKBJSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.95
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

(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methylphenoxy)butanamide
CID 92684252
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
(2S)-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3-methoxyphenoxy)butanamide
CID 28631887
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99948161
(2S)-2-(2,5-dimethylphenoxy)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 125042983
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 133240165
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 30396485
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide?
The IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide (CID 99948309) is (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide is CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide?
The InChIKey is WRJRCZGDIAPEDI-QWFCFKBJSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-6-20(26-21-13-16(2)8-9-19(21)5)22(25)23-10-7-11-24-14-17(3)12-18(4)15-24/h8-9,13,17-18,20H,6-7,10-12,14-15H2,1-5H3,(H,23,25)/t17-,18-,20-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide?
(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide has a molecular weight of 360.54 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide is sourced from PubChem (CID 99948309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).