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

C18H20N2O3 — CID 36556789

IUPAC2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(O)c1
InChIInChI=1S/C18H20N2O3/c1-11(2)17(22)19-13-5-7-14(8-6-13)20-18(23)15-9-4-12(3)10-16(15)21/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyXXMFWQXXGSJRTF-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.55
Rot. Bonds4

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

2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 36556789) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID36556789
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(O)c1
InChIInChI=1S/C18H20N2O3/c1-11(2)17(22)19-13-5-7-14(8-6-13)20-18(23)15-9-4-12(3)10-16(15)21/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyXXMFWQXXGSJRTF-UHFFFAOYSA-N
XLogP3.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567606
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980
2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 37267775
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096
2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808
N-[4-(2-aminoethoxy)phenyl]-2-hydroxy-4-methylbenzamide
CID 43369291
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568149
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567895
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 36556789) is 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is XXMFWQXXGSJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(2)17(22)19-13-5-7-14(8-6-13)20-18(23)15-9-4-12(3)10-16(15)21/h4-11,21H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 36556789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).