N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide

C35H33NO2 — CID 141212176

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3o2)cc1)C(Cc1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C35H33NO2/c37-35(36-31-21-19-29(20-22-31)34-24-30-13-7-8-14-33(30)38-34)32(23-25-9-3-1-4-10-25)28-17-15-27(16-18-28)26-11-5-2-6-12-26/h1,3-4,7-10,13-22,24,26,32H,2,5-6,11-12,23H2,(H,36,37)
InChIKeyZYUDYMJHQDQLJX-UHFFFAOYSA-N
MW499.65 g/mol
LogP9.11
Rot. Bonds7

About N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide

N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide (PubChem CID 141212176) has the molecular formula C35H33NO2 and a molecular weight of 499.65 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide
PubChem CID141212176
Molecular FormulaC35H33NO2
Molecular Weight499.65 g/mol
Exact Mass499.25
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3o2)cc1)C(Cc1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C35H33NO2/c37-35(36-31-21-19-29(20-22-31)34-24-30-13-7-8-14-33(30)38-34)32(23-25-9-3-1-4-10-25)28-17-15-27(16-18-28)26-11-5-2-6-12-26/h1,3-4,7-10,13-22,24,26,32H,2,5-6,11-12,23H2,(H,36,37)
InChIKeyZYUDYMJHQDQLJX-UHFFFAOYSA-N
XLogP9.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.65
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-3-[4-(1-benzofuran-2-yl)anilino]-2-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-3-oxopropyl]benzoic acid
CID 67766199
[[4-[3-[4-(1-benzofuran-2-yl)anilino]-2-(4-tert-butylphenyl)-3-oxopropyl]benzoyl]amino]methanesulfonic acid
CID 88866810
2-[[4-[3-[4-(1-benzofuran-2-yl)anilino]-2-(4-bromophenyl)-3-oxopropyl]benzoyl]amino]ethanesulfonic acid
CID 88866790
3-[[4-[3-anilino-2-(4-cyclohexylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742322
3-[[4-[2-(4-cyclohexylphenyl)-3-(4-methylanilino)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 67489002
4-[2-(4-cyclohexylphenyl)-3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]benzoic acid
CID 23508825
4-[4-[3-[4-(1-benzofuran-2-yl)anilino]-3-oxo-2-(4-thiophen-2-ylphenyl)propyl]phenyl]-4-oxobutane-1-sulfonic acid
CID 147580532
4-[4-[(2S)-3-[4-(1-benzofuran-2-yl)anilino]-2-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-3-oxopropyl]phenyl]-4-oxobutane-1-sulfonic acid
CID 153074511
3-[[4-[3-(4-bromo-3-chloroanilino)-2-(4-cyclohexylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742224
3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)amino]propyl]benzoyl]amino]propanoic acid
CID 20742261
3-[[4-[2-(4-cyclohexylphenyl)-3-(3-methylsulfanylanilino)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742281
2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 42911722

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide (CID 141212176) is N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide is O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)C(Cc1ccccc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide?
The InChIKey is ZYUDYMJHQDQLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NO2/c37-35(36-31-21-19-29(20-22-31)34-24-30-13-7-8-14-33(30)38-34)32(23-25-9-3-1-4-10-25)28-17-15-27(16-18-28)26-11-5-2-6-12-26/h1,3-4,7-10,13-22,24,26,32H,2,5-6,11-12,23H2,(H,36,37).
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide?
N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide has a molecular weight of 499.65 g/mol, XLogP of 9.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-cyclohexylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 141212176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).