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

C17H28N2O — CID 62878370

IUPAC3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
SMILESCCCCC(CC)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-9-14(4-2)13-19-17(20)16(12-18)15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13,18H2,1-2H3,(H,19,20)
InChIKeyLZEMBCLWBQLKMW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds9

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

3-amino-N-(2-ethylhexyl)-2-phenylpropanamide (PubChem CID 62878370) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
PubChem CID62878370
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
SMILESCCCCC(CC)CNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-9-14(4-2)13-19-17(20)16(12-18)15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13,18H2,1-2H3,(H,19,20)
InChIKeyLZEMBCLWBQLKMW-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 55739531
(2S)-2-[(3-amino-2-phenylpropanoyl)amino]hexanoic acid
CID 107147010
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
CID 113492233
3-[[(2S)-2-aminohexanoyl]amino]-2-phenylpropanoic acid
CID 107145420
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
5-[(3-amino-2-phenylpropanoyl)amino]pentanamide
CID 106235045
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide (CID 62878370) is 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide is CCCCC(CC)CNC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide?
The InChIKey is LZEMBCLWBQLKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-9-14(4-2)13-19-17(20)16(12-18)15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide?
3-amino-N-(2-ethylhexyl)-2-phenylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylhexyl)-2-phenylpropanamide is sourced from PubChem (CID 62878370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).