3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide

C25H28N2O2 — CID 56526498

IUPAC3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide
SMILESCCC(O)CN(CCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-2-22(28)19-27(21-13-7-4-8-14-21)18-17-25(29)26-24-16-10-9-15-23(24)20-11-5-3-6-12-20/h3-16,22,28H,2,17-19H2,1H3,(H,26,29)
InChIKeyLEJMCIPAKCKNJN-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.96
Rot. Bonds9

About 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide

3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide (PubChem CID 56526498) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide
PubChem CID56526498
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide
SMILESCCC(O)CN(CCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-2-22(28)19-27(21-13-7-4-8-14-21)18-17-25(29)26-24-16-10-9-15-23(24)20-11-5-3-6-12-20/h3-16,22,28H,2,17-19H2,1H3,(H,26,29)
InChIKeyLEJMCIPAKCKNJN-UHFFFAOYSA-N
XLogP4.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
CID 78830866
N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110919043
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
1-(N-butylanilino)butan-2-ol
CID 63102235
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
CID 112830357
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenylphenyl)acetamide
CID 31993666
3-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 24588963
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
3-(N-(2-hydroxy-3-methoxypropyl)anilino)propanoic acid
CID 63930935
N-[2-[3,5-bis[2-(butanoylamino)phenyl]phenyl]phenyl]butanamide
CID 102081724

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide (CID 56526498) is 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide is CCC(O)CN(CCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide?
The InChIKey is LEJMCIPAKCKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-22(28)19-27(21-13-7-4-8-14-21)18-17-25(29)26-24-16-10-9-15-23(24)20-11-5-3-6-12-20/h3-16,22,28H,2,17-19H2,1H3,(H,26,29).
What are the key properties of 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide?
3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide has a molecular weight of 388.51 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 56526498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).