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

C19H31NO — CID 91693865

IUPACN-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
SMILESCCCCC(CC)CN(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C19H31NO/c1-4-7-11-17(5-2)16-20(6-3)19(21)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3
InChIKeyXEZGYKHWNSVGGH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.68
Rot. Bonds10

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

N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide (PubChem CID 91693865) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
PubChem CID91693865
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
SMILESCCCCC(CC)CN(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C19H31NO/c1-4-7-11-17(5-2)16-20(6-3)19(21)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3
InChIKeyXEZGYKHWNSVGGH-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
2-ethyl-N-(2-ethylhexyl)-N-(3-phenylpropyl)hexan-1-amine
CID 6425935
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
N,N-dihexyl-3-phenylpropanamide
CID 532921
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid
CID 177435177
benzoic acid;2-ethyl-N,N-dimethylhexan-1-amine
CID 175078681
4-bromo-N-ethyl-N-(2-ethylhexyl)benzamide
CID 91728276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide?
The IUPAC name of N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide (CID 91693865) is N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide?
The canonical SMILES for N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide is CCCCC(CC)CN(CC)C(=O)CCc1ccccc1.
What is the InChIKey of N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide?
The InChIKey is XEZGYKHWNSVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-11-17(5-2)16-20(6-3)19(21)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide?
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide has a molecular weight of 289.46 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide is sourced from PubChem (CID 91693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).