N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide

C18H21NO3 — CID 110878329

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-18(2,13-20)19-17(21)15-10-8-14(9-11-15)12-22-16-6-4-3-5-7-16/h3-11,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyQMUKVNRBLODJHB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.77
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide (PubChem CID 110878329) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
PubChem CID110878329
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-18(2,13-20)19-17(21)15-10-8-14(9-11-15)12-22-16-6-4-3-5-7-16/h3-11,20H,12-13H2,1-2H3,(H,19,21)
InChIKeyQMUKVNRBLODJHB-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 119573755
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-(2-methylbutan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 37133440
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide (CID 110878329) is N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide is CC(C)(CO)NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide?
The InChIKey is QMUKVNRBLODJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,13-20)19-17(21)15-10-8-14(9-11-15)12-22-16-6-4-3-5-7-16/h3-11,20H,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 110878329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).