N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide

C17H18N2O3 — CID 6458962

IUPACN-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-3-16(21)18-13-7-5-12(6-8-13)17(22)19-14-9-4-11(2)10-15(14)20/h4-10,20H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDUVOFXGHPMJJBP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.30
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide

N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide (PubChem CID 6458962) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
PubChem CID6458962
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-3-16(21)18-13-7-5-12(6-8-13)17(22)19-14-9-4-11(2)10-15(14)20/h4-10,20H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDUVOFXGHPMJJBP-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 17395323
N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108530456

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide (CID 6458962) is N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2O)cc1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide?
The InChIKey is DUVOFXGHPMJJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-16(21)18-13-7-5-12(6-8-13)17(22)19-14-9-4-11(2)10-15(14)20/h4-10,20H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide?
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide has a molecular weight of 298.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide is sourced from PubChem (CID 6458962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).