N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide

C25H24N2O2 — CID 7671033

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-3-18(2)20-8-12-23(13-9-20)27-25(28)17-29-24-14-10-22(11-15-24)21-6-4-19(16-26)5-7-21/h4-15,18H,3,17H2,1-2H3,(H,27,28)/t18-/m0/s1
InChIKeyHROODARBXSRGOM-SFHVURJKSA-N
MW384.48 g/mol
LogP5.76
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 7671033) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID7671033
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-3-18(2)20-8-12-23(13-9-20)27-25(28)17-29-24-14-10-22(11-15-24)21-6-4-19(16-26)5-7-21/h4-15,18H,3,17H2,1-2H3,(H,27,28)/t18-/m0/s1
InChIKeyHROODARBXSRGOM-SFHVURJKSA-N
XLogP5.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 7671033) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide is CC[C@H](C)c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is HROODARBXSRGOM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-18(2)20-8-12-23(13-9-20)27-25(28)17-29-24-14-10-22(11-15-24)21-6-4-19(16-26)5-7-21/h4-15,18H,3,17H2,1-2H3,(H,27,28)/t18-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide has a molecular weight of 384.48 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 7671033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).