N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide

C18H21NO2 — CID 43416361

IUPACN-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-12-9-13(2)17(14(3)10-12)18(21)19-11-16(20)15-7-5-4-6-8-15/h4-10,16,20H,11H2,1-3H3,(H,19,21)
InChIKeyZIMFELULKAUVIP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.08
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide

N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide (PubChem CID 43416361) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
PubChem CID43416361
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO2/c1-12-9-13(2)17(14(3)10-12)18(21)19-11-16(20)15-7-5-4-6-8-15/h4-10,16,20H,11H2,1-3H3,(H,19,21)
InChIKeyZIMFELULKAUVIP-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2,4,6-trimethylbenzamide
CID 90581428
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(3,3-difluoro-2-hydroxypropyl)-2,4,6-trimethylbenzamide
CID 103867078
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide
CID 65031669
2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide
CID 11057332

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide (CID 43416361) is N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC(O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide?
The InChIKey is ZIMFELULKAUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-9-13(2)17(14(3)10-12)18(21)19-11-16(20)15-7-5-4-6-8-15/h4-10,16,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide?
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 43416361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).