(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

C25H34N2O3 — CID 35341970

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)N2CCCCC2)cc1
InChIInChI=1S/C25H34N2O3/c1-18-8-11-23(16-19(18)2)30-20(3)25(28)26-17-24(27-14-6-5-7-15-27)21-9-12-22(29-4)13-10-21/h8-13,16,20,24H,5-7,14-15,17H2,1-4H3,(H,26,28)/t20-,24-/m1/s1
InChIKeyUCMJZFJBSKYJOI-HYBUGGRVSA-N
MW410.56 g/mol
LogP4.42
Rot. Bonds8

About (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (PubChem CID 35341970) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
PubChem CID35341970
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)N2CCCCC2)cc1
InChIInChI=1S/C25H34N2O3/c1-18-8-11-23(16-19(18)2)30-20(3)25(28)26-17-24(27-14-6-5-7-15-27)21-9-12-22(29-4)13-10-21/h8-13,16,20,24H,5-7,14-15,17H2,1-4H3,(H,26,28)/t20-,24-/m1/s1
InChIKeyUCMJZFJBSKYJOI-HYBUGGRVSA-N
XLogP4.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014583
(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35345326
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669308
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 55537197
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (CID 35341970) is (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The InChIKey is UCMJZFJBSKYJOI-HYBUGGRVSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-18-8-11-23(16-19(18)2)30-20(3)25(28)26-17-24(27-14-6-5-7-15-27)21-9-12-22(29-4)13-10-21/h8-13,16,20,24H,5-7,14-15,17H2,1-4H3,(H,26,28)/t20-,24-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide has a molecular weight of 410.56 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is sourced from PubChem (CID 35341970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).