N-(2-ethylhexyl)-3-phenylpropanamide

C17H27NO — CID 3261802

IUPACN-(2-ethylhexyl)-3-phenylpropanamide
SMILESCCCCC(CC)CNC(=O)CCc1ccccc1
InChIInChI=1S/C17H27NO/c1-3-5-9-15(4-2)14-18-17(19)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,18,19)
InChIKeyQEVJIXFNTQTVKS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.95
Rot. Bonds9

About N-(2-ethylhexyl)-3-phenylpropanamide

N-(2-ethylhexyl)-3-phenylpropanamide (PubChem CID 3261802) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-phenylpropanamide
PubChem CID3261802
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2-ethylhexyl)-3-phenylpropanamide
SMILESCCCCC(CC)CNC(=O)CCc1ccccc1
InChIInChI=1S/C17H27NO/c1-3-5-9-15(4-2)14-18-17(19)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,18,19)
InChIKeyQEVJIXFNTQTVKS-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
N-(2-benzylheptyl)-4-methylpentanamide
CID 176730327
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-2-ethylhexyl]propanamide
CID 8712890
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 55739531
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
4-(4-benzhydrylpiperazin-1-yl)-N-(2-ethylhexyl)-4-oxobutanamide
CID 25246851

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-phenylpropanamide?
The IUPAC name of N-(2-ethylhexyl)-3-phenylpropanamide (CID 3261802) is N-(2-ethylhexyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-ethylhexyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-ethylhexyl)-3-phenylpropanamide is CCCCC(CC)CNC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-ethylhexyl)-3-phenylpropanamide?
The InChIKey is QEVJIXFNTQTVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-9-15(4-2)14-18-17(19)13-12-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethylhexyl)-3-phenylpropanamide?
N-(2-ethylhexyl)-3-phenylpropanamide has a molecular weight of 261.41 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-phenylpropanamide is sourced from PubChem (CID 3261802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).