N-(1-phenylpropan-2-yl)acetamide;toluene

C18H23NO — CID 157258470

IUPACN-(1-phenylpropan-2-yl)acetamide;toluene
SMILESCC(=O)NC(C)Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C11H15NO.C7H8/c1-9(12-10(2)13)8-11-6-4-3-5-7-11;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3,(H,12,13);2-6H,1H3
InChIKeyAXEBVIWMWYZZKJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.75
Rot. Bonds3

About N-(1-phenylpropan-2-yl)acetamide;toluene

N-(1-phenylpropan-2-yl)acetamide;toluene (PubChem CID 157258470) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)acetamide;toluene.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)acetamide;toluene
PubChem CID157258470
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(1-phenylpropan-2-yl)acetamide;toluene
SMILESCC(=O)NC(C)Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C11H15NO.C7H8/c1-9(12-10(2)13)8-11-6-4-3-5-7-11;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3,(H,12,13);2-6H,1H3
InChIKeyAXEBVIWMWYZZKJ-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
N-(3-iodo-4-phenylbutan-2-yl)acetamide
CID 121008099

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)acetamide;toluene?
The IUPAC name of N-(1-phenylpropan-2-yl)acetamide;toluene (CID 157258470) is N-(1-phenylpropan-2-yl)acetamide;toluene.
What is the SMILES notation for N-(1-phenylpropan-2-yl)acetamide;toluene?
The canonical SMILES for N-(1-phenylpropan-2-yl)acetamide;toluene is CC(=O)NC(C)Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of N-(1-phenylpropan-2-yl)acetamide;toluene?
The InChIKey is AXEBVIWMWYZZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C7H8/c1-9(12-10(2)13)8-11-6-4-3-5-7-11;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3,(H,12,13);2-6H,1H3.
What are the key properties of N-(1-phenylpropan-2-yl)acetamide;toluene?
N-(1-phenylpropan-2-yl)acetamide;toluene has a molecular weight of 269.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)acetamide;toluene is sourced from PubChem (CID 157258470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).