2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide

C19H22N2O3 — CID 37267775

IUPAC2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-12(2)18(23)21-15-7-5-14(6-8-15)11-20-19(24)16-10-13(3)4-9-17(16)22/h4-10,12,22H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyPYXIUWDUXFOEGE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.23
Rot. Bonds5

About 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide

2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 37267775) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
PubChem CID37267775
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCc1ccc(O)c(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-12(2)18(23)21-15-7-5-14(6-8-15)11-20-19(24)16-10-13(3)4-9-17(16)22/h4-10,12,22H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyPYXIUWDUXFOEGE-UHFFFAOYSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36556789
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51333269
methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate
CID 47058003
2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 51332897
5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55576435
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-nitrobenzamide
CID 18274650
2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
CID 51332839

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide (CID 37267775) is 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide is Cc1ccc(O)c(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is PYXIUWDUXFOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)18(23)21-15-7-5-14(6-8-15)11-20-19(24)16-10-13(3)4-9-17(16)22/h4-10,12,22H,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 37267775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).