N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide

C12H17NO2 — CID 85401223

IUPACN-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NCC(C)(O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-9-4-6-11(7-5-9)12(3,15)8-13-10(2)14/h4-7,15H,8H2,1-3H3,(H,13,14)
InChIKeyVNDOYWXZUALTGA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.34
Rot. Bonds3

About N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide

N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide (PubChem CID 85401223) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide
PubChem CID85401223
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NCC(C)(O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-9-4-6-11(7-5-9)12(3,15)8-13-10(2)14/h4-7,15H,8H2,1-3H3,(H,13,14)
InChIKeyVNDOYWXZUALTGA-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

H 29-50
CID 192962
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
H 35-25
CID 166842
4-(p-Tolyl)piperidin-4-ol
CID 93912
(1R,2S)-1-(4-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 40580632
3-Phenylpyrrolidin-3-ol
CID 200281
1-(Methylamino)-2-phenylpropan-2-ol
CID 238240
3-(4-Methylphenyl)pyrrolidin-3-ol hydrochloride
CID 3051402
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245
Benzeneacetamide, alpha-hydroxy-N-(1-methylethyl)-alpha-phenyl-
CID 3043303
2-Methyl-3-(4-methylphenyl)pyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051396

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide (CID 85401223) is N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide is CC(=O)NCC(C)(O)c1ccc(C)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide?
The InChIKey is VNDOYWXZUALTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-6-11(7-5-9)12(3,15)8-13-10(2)14/h4-7,15H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide?
N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 85401223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).