N-[(2R)-2-(2-methylphenyl)propyl]acetamide

C12H17NO — CID 138978535

IUPACN-[(2R)-2-(2-methylphenyl)propyl]acetamide
SMILESCC(=O)NC[C@H](C)c1ccccc1C
InChIInChI=1S/C12H17NO/c1-9-6-4-5-7-12(9)10(2)8-13-11(3)14/h4-7,10H,8H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOOULQMZAICNQHU-JTQLQIEISA-N
MW191.27 g/mol
LogP2.23
Rot. Bonds3

About N-[(2R)-2-(2-methylphenyl)propyl]acetamide

N-[(2R)-2-(2-methylphenyl)propyl]acetamide (PubChem CID 138978535) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(2R)-2-(2-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-methylphenyl)propyl]acetamide
PubChem CID138978535
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(2R)-2-(2-methylphenyl)propyl]acetamide
SMILESCC(=O)NC[C@H](C)c1ccccc1C
InChIInChI=1S/C12H17NO/c1-9-6-4-5-7-12(9)10(2)8-13-11(3)14/h4-7,10H,8H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOOULQMZAICNQHU-JTQLQIEISA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)propylhydrazine
CID 130631257
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
CID 111447562
N-[3-(2-methylphenyl)butan-2-yl]acetamide
CID 20708272
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
CID 167634596
CID 167634596
4-methyl-2-[[3-(2-methylphenyl)butanoylamino]methyl]pentanoic acid
CID 119252905
2-acetamido-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 81374965
N-[2-(4-hydroxyphenyl)propyl]acetamide
CID 14579439

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-methylphenyl)propyl]acetamide?
The IUPAC name of N-[(2R)-2-(2-methylphenyl)propyl]acetamide (CID 138978535) is N-[(2R)-2-(2-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-[(2R)-2-(2-methylphenyl)propyl]acetamide?
The canonical SMILES for N-[(2R)-2-(2-methylphenyl)propyl]acetamide is CC(=O)NC[C@H](C)c1ccccc1C.
What is the InChIKey of N-[(2R)-2-(2-methylphenyl)propyl]acetamide?
The InChIKey is OOULQMZAICNQHU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-4-5-7-12(9)10(2)8-13-11(3)14/h4-7,10H,8H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(2R)-2-(2-methylphenyl)propyl]acetamide?
N-[(2R)-2-(2-methylphenyl)propyl]acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-methylphenyl)propyl]acetamide is sourced from PubChem (CID 138978535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).