N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide

C25H24N2O3 — CID 86892668

IUPACN-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)c1
InChIInChI=1S/C25H24N2O3/c1-2-24(29)26-19-12-13-23(28)21(14-19)25(30)27-15-18-10-6-7-11-20(18)22(16-27)17-8-4-3-5-9-17/h3-14,22,28H,2,15-16H2,1H3,(H,26,29)
InChIKeyKIEROBDLBBBEIX-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.53
Rot. Bonds4

About N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide

N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide (PubChem CID 86892668) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide
PubChem CID86892668
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)c1
InChIInChI=1S/C25H24N2O3/c1-2-24(29)26-19-12-13-23(28)21(14-19)25(30)27-15-18-10-6-7-11-20(18)22(16-27)17-8-4-3-5-9-17/h3-14,22,28H,2,15-16H2,1H3,(H,26,29)
InChIKeyKIEROBDLBBBEIX-UHFFFAOYSA-N
XLogP4.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide?
The IUPAC name of N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide (CID 86892668) is N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide is CCC(=O)Nc1ccc(O)c(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)c1.
What is the InChIKey of N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide?
The InChIKey is KIEROBDLBBBEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-24(29)26-19-12-13-23(28)21(14-19)25(30)27-15-18-10-6-7-11-20(18)22(16-27)17-8-4-3-5-9-17/h3-14,22,28H,2,15-16H2,1H3,(H,26,29).
What are the key properties of N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide?
N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide has a molecular weight of 400.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 86892668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).