(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

C25H28N2O2 — CID 100558876

IUPAC(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1
InChIInChI=1S/C25H28N2O2/c1-17(2)23-10-5-18(3)15-24(23)29-19(4)25(28)27-22-8-6-20(7-9-22)16-21-11-13-26-14-12-21/h5-15,17,19H,16H2,1-4H3,(H,27,28)/t19-/m0/s1
InChIKeyOEFPRRUHOQXCHI-IBGZPJMESA-N
MW388.51 g/mol
LogP5.51
Rot. Bonds7

About (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (PubChem CID 100558876) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
PubChem CID100558876
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1
InChIInChI=1S/C25H28N2O2/c1-17(2)23-10-5-18(3)15-24(23)29-19(4)25(28)27-22-8-6-20(7-9-22)16-21-11-13-26-14-12-21/h5-15,17,19H,16H2,1-4H3,(H,27,28)/t19-/m0/s1
InChIKeyOEFPRRUHOQXCHI-IBGZPJMESA-N
XLogP5.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133261993
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
ethyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 133162806
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166790
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55821367
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 100516543
(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 92534595
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160353
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558956
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide (CID 100558876) is (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1.
What is the InChIKey of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
The InChIKey is OEFPRRUHOQXCHI-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17(2)23-10-5-18(3)15-24(23)29-19(4)25(28)27-22-8-6-20(7-9-22)16-21-11-13-26-14-12-21/h5-15,17,19H,16H2,1-4H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide?
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 100558876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).