N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide

C19H24N2O2 — CID 54045194

IUPACN-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(O)c(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13(2)11-14-5-10-18(22)17(12-14)19(23)20-15-6-8-16(9-7-15)21(3)4/h5-10,12-13,22H,11H2,1-4H3,(H,20,23)
InChIKeyLPBJLAYBPHEOIU-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.91
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide

N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide (PubChem CID 54045194) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide
PubChem CID54045194
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(O)c(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13(2)11-14-5-10-18(22)17(12-14)19(23)20-15-6-8-16(9-7-15)21(3)4/h5-10,12-13,22H,11H2,1-4H3,(H,20,23)
InChIKeyLPBJLAYBPHEOIU-UHFFFAOYSA-N
XLogP3.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide (CID 54045194) is N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide is CC(C)Cc1ccc(O)c(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide?
The InChIKey is LPBJLAYBPHEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)11-14-5-10-18(22)17(12-14)19(23)20-15-6-8-16(9-7-15)21(3)4/h5-10,12-13,22H,11H2,1-4H3,(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide?
N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide is sourced from PubChem (CID 54045194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).