ethane;pentan-2-one;2-phenylhexanamide

C19H33NO2 — CID 143363215

IUPACethane;pentan-2-one;2-phenylhexanamide
SMILESCC.CCCC(C)=O.CCCCC(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO.C5H10O.C2H6/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10;1-3-4-5(2)6;1-2/h4-8,11H,2-3,9H2,1H3,(H2,13,14);3-4H2,1-2H3;1-2H3
InChIKeyVORBZHNNDGCOJD-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.85
Rot. Bonds7

About ethane;pentan-2-one;2-phenylhexanamide

ethane;pentan-2-one;2-phenylhexanamide (PubChem CID 143363215) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is ethane;pentan-2-one;2-phenylhexanamide.

Molecular Properties

Compound Nameethane;pentan-2-one;2-phenylhexanamide
PubChem CID143363215
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Nameethane;pentan-2-one;2-phenylhexanamide
SMILESCC.CCCC(C)=O.CCCCC(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO.C5H10O.C2H6/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10;1-3-4-5(2)6;1-2/h4-8,11H,2-3,9H2,1H3,(H2,13,14);3-4H2,1-2H3;1-2H3
InChIKeyVORBZHNNDGCOJD-UHFFFAOYSA-N
XLogP4.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;pentan-2-one;3-phenylheptan-2-one
CID 143360194
2-phenylheptanamide
CID 67221214
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
ethane;(3S)-3-phenyloctan-2-one;propane
CID 143356286
butan-2-one;N-methyl-2-phenylhexanamide
CID 143353676
ethyl 5-oxo-2-phenylhexanoate
CID 15445591
(2R)-2-phenylbutanamide
CID 139147476
3-phenylheptanamide
CID 91447364
heptyl 2-phenylhexanoate
CID 67351180
methyl 2-phenylheptanoate
CID 143443478
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
benzyl 2-phenylheptanoate
CID 175026183

Frequently Asked Questions

What is the IUPAC name of ethane;pentan-2-one;2-phenylhexanamide?
The IUPAC name of ethane;pentan-2-one;2-phenylhexanamide (CID 143363215) is ethane;pentan-2-one;2-phenylhexanamide.
What is the SMILES notation for ethane;pentan-2-one;2-phenylhexanamide?
The canonical SMILES for ethane;pentan-2-one;2-phenylhexanamide is CC.CCCC(C)=O.CCCCC(C(N)=O)c1ccccc1.
What is the InChIKey of ethane;pentan-2-one;2-phenylhexanamide?
The InChIKey is VORBZHNNDGCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C5H10O.C2H6/c1-2-3-9-11(12(13)14)10-7-5-4-6-8-10;1-3-4-5(2)6;1-2/h4-8,11H,2-3,9H2,1H3,(H2,13,14);3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;pentan-2-one;2-phenylhexanamide?
ethane;pentan-2-one;2-phenylhexanamide has a molecular weight of 307.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentan-2-one;2-phenylhexanamide is sourced from PubChem (CID 143363215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).