butan-2-one;N-methyl-2-phenylhexanamide

C17H27NO2 — CID 143353676

IUPACbutan-2-one;N-methyl-2-phenylhexanamide
SMILESCCC(C)=O.CCCCC(C(=O)NC)c1ccccc1
InChIInChI=1S/C13H19NO.C4H8O/c1-3-4-10-12(13(15)14-2)11-8-6-5-7-9-11;1-3-4(2)5/h5-9,12H,3-4,10H2,1-2H3,(H,14,15);3H2,1-2H3
InChIKeyHVTODGLMEQUQHD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About butan-2-one;N-methyl-2-phenylhexanamide

butan-2-one;N-methyl-2-phenylhexanamide (PubChem CID 143353676) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is butan-2-one;N-methyl-2-phenylhexanamide.

Molecular Properties

Compound Namebutan-2-one;N-methyl-2-phenylhexanamide
PubChem CID143353676
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namebutan-2-one;N-methyl-2-phenylhexanamide
SMILESCCC(C)=O.CCCCC(C(=O)NC)c1ccccc1
InChIInChI=1S/C13H19NO.C4H8O/c1-3-4-10-12(13(15)14-2)11-8-6-5-7-9-11;1-3-4(2)5/h5-9,12H,3-4,10H2,1-2H3,(H,14,15);3H2,1-2H3
InChIKeyHVTODGLMEQUQHD-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;pentan-2-one;3-phenylheptan-2-one
CID 143360194
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
ethane;pentan-2-one;2-phenylhexanamide
CID 143363215
ethane;(3S)-3-phenyloctan-2-one;propane
CID 143356286
methyl 2-phenylheptanoate
CID 143443478
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
2-phenylheptanamide
CID 67221214
2-phenyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 53493076
2-phenyloctadecanoate
CID 22742145
methyl 4-(methylamino)-4-oxo-3-phenylbutanoate
CID 10013769
2-(3-phenylheptan-2-ylidene)propanedinitrile
CID 101138980
2-phenyloctadecanoyl chloride
CID 154195260

Frequently Asked Questions

What is the IUPAC name of butan-2-one;N-methyl-2-phenylhexanamide?
The IUPAC name of butan-2-one;N-methyl-2-phenylhexanamide (CID 143353676) is butan-2-one;N-methyl-2-phenylhexanamide.
What is the SMILES notation for butan-2-one;N-methyl-2-phenylhexanamide?
The canonical SMILES for butan-2-one;N-methyl-2-phenylhexanamide is CCC(C)=O.CCCCC(C(=O)NC)c1ccccc1.
What is the InChIKey of butan-2-one;N-methyl-2-phenylhexanamide?
The InChIKey is HVTODGLMEQUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C4H8O/c1-3-4-10-12(13(15)14-2)11-8-6-5-7-9-11;1-3-4(2)5/h5-9,12H,3-4,10H2,1-2H3,(H,14,15);3H2,1-2H3.
What are the key properties of butan-2-one;N-methyl-2-phenylhexanamide?
butan-2-one;N-methyl-2-phenylhexanamide has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;N-methyl-2-phenylhexanamide is sourced from PubChem (CID 143353676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).