N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C19H23N3O3 — CID 17395323

IUPACN-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(O)c1
InChIInChI=1S/C19H23N3O3/c1-12(2)21-19(25)20-11-14-5-7-15(8-6-14)18(24)22-16-9-4-13(3)10-17(16)23/h4-10,12,23H,11H2,1-3H3,(H,22,24)(H2,20,21,25)
InChIKeyRVDMSJMJLBOPMM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.16
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 17395323) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID17395323
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(O)c1
InChIInChI=1S/C19H23N3O3/c1-12(2)21-19(25)20-11-14-5-7-15(8-6-14)18(24)22-16-9-4-13(3)10-17(16)23/h4-10,12,23H,11H2,1-3H3,(H,22,24)(H2,20,21,25)
InChIKeyRVDMSJMJLBOPMM-UHFFFAOYSA-N
XLogP3.16
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(3,5-dichlorophenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9206376
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-[2,6-di(propan-2-yl)phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9453639
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33237022

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 17395323) is N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is Cc1ccc(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is RVDMSJMJLBOPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12(2)21-19(25)20-11-14-5-7-15(8-6-14)18(24)22-16-9-4-13(3)10-17(16)23/h4-10,12,23H,11H2,1-3H3,(H,22,24)(H2,20,21,25).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 17395323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).