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'}

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

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

Launch Full Analysis

Related Compounds

(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
CID 39122388
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 107724903
(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide
CID 66751193
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711

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).