3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide

C19H22N2O3 — CID 141262148

IUPAC3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(C(N)=O)c(O)c1CNC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-10-9-13(17(20)23)16(22)14(15)11-21-18(24)12-7-5-4-6-8-12/h4-10,22H,11H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyAGYGBLGNQYZYGQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds4

About 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide

3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide (PubChem CID 141262148) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide.

Molecular Properties

Compound Name3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide
PubChem CID141262148
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(C(N)=O)c(O)c1CNC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-10-9-13(17(20)23)16(22)14(15)11-21-18(24)12-7-5-4-6-8-12/h4-10,22H,11H2,1-3H3,(H2,20,23)(H,21,24)
InChIKeyAGYGBLGNQYZYGQ-UHFFFAOYSA-N
XLogP2.72
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide
CID 4233373
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide
CID 47216049
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
(carbamothioylamino) 2-benzamidoacetate
CID 174948338
2-(2-benzamidoethyl)benzamide
CID 173153264
4-(benzamidomethyl)benzoic acid
CID 10879683
N-ethylbenzamide
CID 160772566
N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide
CID 144663710
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
2-(benzamidomethoxy)benzamide
CID 141178431

Frequently Asked Questions

What is the IUPAC name of 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide?
The IUPAC name of 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide (CID 141262148) is 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide.
What is the SMILES notation for 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide?
The canonical SMILES for 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide is CC(C)(C)c1ccc(C(N)=O)c(O)c1CNC(=O)c1ccccc1.
What is the InChIKey of 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide?
The InChIKey is AGYGBLGNQYZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)15-10-9-13(17(20)23)16(22)14(15)11-21-18(24)12-7-5-4-6-8-12/h4-10,22H,11H2,1-3H3,(H2,20,23)(H,21,24).
What are the key properties of 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide?
3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzamidomethyl)-4-tert-butyl-2-hydroxybenzamide is sourced from PubChem (CID 141262148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).