N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide

C25H24N2O3 — CID 143188435

IUPACN-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
SMILESCC(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3C#N)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-18(17-28)25(29)27-22-10-12-23(13-11-22)30-15-14-19-6-8-20(9-7-19)24-5-3-2-4-21(24)16-26/h2-13,18,28H,14-15,17H2,1H3,(H,27,29)
InChIKeyIUYYIPXCGOOSNU-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.41
Rot. Bonds8

About N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide

N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide (PubChem CID 143188435) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
PubChem CID143188435
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
SMILESCC(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3C#N)cc2)cc1
InChIInChI=1S/C25H24N2O3/c1-18(17-28)25(29)27-22-10-12-23(13-11-22)30-15-14-19-6-8-20(9-7-19)24-5-3-2-4-21(24)16-26/h2-13,18,28H,14-15,17H2,1H3,(H,27,29)
InChIKeyIUYYIPXCGOOSNU-UHFFFAOYSA-N
XLogP4.41
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide
CID 143188326
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate
CID 166316434
2-amino-N-[4-[2-[4-(4-chlorophenyl)phenyl]ethoxy]phenyl]-3-hydroxypropanamide
CID 143188428
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
CID 21257477
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide (CID 143188435) is N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide is CC(CO)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3C#N)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide?
The InChIKey is IUYYIPXCGOOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18(17-28)25(29)27-22-10-12-23(13-11-22)30-15-14-19-6-8-20(9-7-19)24-5-3-2-4-21(24)16-26/h2-13,18,28H,14-15,17H2,1H3,(H,27,29).
What are the key properties of N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide?
N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide has a molecular weight of 400.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 143188435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).