N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide

C18H22N2O2 — CID 39122388

IUPACN-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H22N2O2/c1-4-20(5-2)15-9-7-14(8-10-15)19-18(22)16-12-13(3)6-11-17(16)21/h6-12,21H,4-5H2,1-3H3,(H,19,22)
InChIKeyDGQWJFWYCSARSR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.80
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide

N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide (PubChem CID 39122388) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
PubChem CID39122388
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H22N2O2/c1-4-20(5-2)15-9-7-14(8-10-15)19-18(22)16-12-13(3)6-11-17(16)21/h6-12,21H,4-5H2,1-3H3,(H,19,22)
InChIKeyDGQWJFWYCSARSR-UHFFFAOYSA-N
XLogP3.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.80
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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Related Compounds

2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-5-methylbenzamide
CID 32937197
2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide (CID 39122388) is N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide is CCN(CC)c1ccc(NC(=O)c2cc(C)ccc2O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is DGQWJFWYCSARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-20(5-2)15-9-7-14(8-10-15)19-18(22)16-12-13(3)6-11-17(16)21/h6-12,21H,4-5H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide?
N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 39122388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).